Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-13 11:45:54 UTC
Update Date2022-03-07 02:57:13 UTC
HMDB IDHMDB0041883
Secondary Accession Numbers
  • HMDB41883
Metabolite Identification
Common NameDoripenem
DescriptionDoripenem (common name doripenem monohydrate) is an ultra-broad spectrum injectable antibiotic. It is a beta-lactam and belongs to the subgroup of carbapenems. It was launched by Shionogi Co. of Japan under the brand name Finibax in 2005 and is being marketed outside Japan by Johnson & Johnson. It is particularly active against Pseudomonas aeruginosa. Doripenem is a beta-lactam antibiotic agent belonging to the carbapenem group, with a broad spectrum of bacterial sensitivity. Although doripenem may be quite similar to other related carbapenem agents, the antibiotic includes several divergent properties. For example, doripenem includes a transfiguration of hydroxyethyl group, and in position 4 there is a carbon atom. These differences make the agent more stable against other pathogens. Doripenem inhibits renal dehydropeptidase-1 hydrolysis due to its structure containing a single side chain, 1-beta methyl. Additionally, within the molecular structure a sulfamoylaminomethyl-pyrrolindinylthio group is attached to a side chain giving the molecule increased antibacterial action against gram-negative microbes. In vivo, doripenem inhibits the synthesis of cell walls by attaching itself to penicillin binding proteins, also known as PBPs.
Structure
Data?1563863710
Synonyms
ValueSource
DoribaxHMDB
Doripenem hydrateHMDB
2-(5-Sulfamoylaminomethylpyrrolidin-3-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapen-2-em-3-carboxylic acidHMDB
Chemical FormulaC15H24N4O6S2
Average Molecular Weight420.504
Monoisotopic Molecular Weight420.1137259
IUPAC Name(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-{[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl}-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Traditional Namedoripenem
CAS Registry Number148016-81-3
SMILES
[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@H](CNS(N)(=O)=O)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O
InChI Identifier
InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1
InChI KeyAVAACINZEOAHHE-VFZPANTDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as thienamycins. These are beta-lactam antibiotics that differ from penicillins in having the thiazolidine sulfur atom replaced by carbon, the sulfur then becoming the first atom in the side chain.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactams
Sub ClassBeta lactams
Direct ParentThienamycins
Alternative Parents
Substituents
  • Thienamycin
  • Alpha-amino acid or derivatives
  • Pyrroline carboxylic acid
  • Pyrroline carboxylic acid or derivatives
  • Azepine
  • Vinylogous thioester
  • Sulfuric acid diamide
  • Pyrroline
  • Pyrrolidine
  • Tertiary carboxylic acid amide
  • Organic sulfuric acid or derivatives
  • Amino acid or derivatives
  • Azetidine
  • Thioenolether
  • Amino acid
  • Secondary alcohol
  • Carboxamide group
  • Carboxylic acid derivative
  • Carboxylic acid
  • Secondary aliphatic amine
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Sulfenyl compound
  • Secondary amine
  • Organic nitrogen compound
  • Alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Amine
  • Organic oxygen compound
  • Organopnictogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Organic oxide
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Source

Route of exposure

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.13 g/LALOGPS
logP-1.3ALOGPS
logP-5.6ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)3.54ChemAxon
pKa (Strongest Basic)9.51ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area162.06 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity99.88 m³·mol⁻¹ChemAxon
Polarizability42.37 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+195.67531661259
DarkChem[M-H]-185.37931661259
DeepCCS[M-2H]-225.57130932474
DeepCCS[M+Na]+200.00530932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Doripenem[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@H](CNS(N)(=O)=O)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O5669.9Standard polar33892256
Doripenem[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@H](CNS(N)(=O)=O)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O3571.5Standard non polar33892256
Doripenem[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@H](CNS(N)(=O)=O)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O4005.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Doripenem,1TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]123431.0Semi standard non polar33892256
Doripenem,1TMS,isomer #2C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]123404.3Semi standard non polar33892256
Doripenem,1TMS,isomer #3C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N[Si](C)(C)C)C3)[C@H](C)[C@H]123510.8Semi standard non polar33892256
Doripenem,1TMS,isomer #4C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(N)(=O)=O)N([Si](C)(C)C)C3)[C@H](C)[C@H]123416.8Semi standard non polar33892256
Doripenem,1TMS,isomer #5C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(N)(=O)=O)C3)[C@H](C)[C@H]123500.0Semi standard non polar33892256
Doripenem,2TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]123337.6Semi standard non polar33892256
Doripenem,2TMS,isomer #10C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]123484.1Semi standard non polar33892256
Doripenem,2TMS,isomer #11C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(N)(=O)=O)N([Si](C)(C)C)C3)[C@H](C)[C@H]123358.4Semi standard non polar33892256
Doripenem,2TMS,isomer #2C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N[Si](C)(C)C)C3)[C@H](C)[C@H]123429.1Semi standard non polar33892256
Doripenem,2TMS,isomer #3C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(N)(=O)=O)N([Si](C)(C)C)C3)[C@H](C)[C@H]123340.5Semi standard non polar33892256
Doripenem,2TMS,isomer #4C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(N)(=O)=O)C3)[C@H](C)[C@H]123432.7Semi standard non polar33892256
Doripenem,2TMS,isomer #5C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N[Si](C)(C)C)C3)[C@H](C)[C@H]123394.4Semi standard non polar33892256
Doripenem,2TMS,isomer #6C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CNS(N)(=O)=O)N([Si](C)(C)C)C3)[C@H](C)[C@H]123322.4Semi standard non polar33892256
Doripenem,2TMS,isomer #7C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(N)(=O)=O)C3)[C@H](C)[C@H]123399.5Semi standard non polar33892256
Doripenem,2TMS,isomer #8C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123404.2Semi standard non polar33892256
Doripenem,2TMS,isomer #9C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)C3)[C@H](C)[C@H]123471.4Semi standard non polar33892256
Doripenem,3TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N[Si](C)(C)C)C3)[C@H](C)[C@H]123355.5Semi standard non polar33892256
Doripenem,3TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N[Si](C)(C)C)C3)[C@H](C)[C@H]123828.4Standard non polar33892256
Doripenem,3TMS,isomer #10C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]123390.2Semi standard non polar33892256
Doripenem,3TMS,isomer #10C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]123898.3Standard non polar33892256
Doripenem,3TMS,isomer #11C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(N)(=O)=O)N([Si](C)(C)C)C3)[C@H](C)[C@H]123302.7Semi standard non polar33892256
Doripenem,3TMS,isomer #11C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(N)(=O)=O)N([Si](C)(C)C)C3)[C@H](C)[C@H]123946.8Standard non polar33892256
Doripenem,3TMS,isomer #12C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123343.3Semi standard non polar33892256
Doripenem,3TMS,isomer #12C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123958.6Standard non polar33892256
Doripenem,3TMS,isomer #13C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123386.2Semi standard non polar33892256
Doripenem,3TMS,isomer #13C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123976.0Standard non polar33892256
Doripenem,3TMS,isomer #14C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]123475.6Semi standard non polar33892256
Doripenem,3TMS,isomer #14C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]123949.7Standard non polar33892256
Doripenem,3TMS,isomer #2C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CNS(N)(=O)=O)N([Si](C)(C)C)C3)[C@H](C)[C@H]123290.9Semi standard non polar33892256
Doripenem,3TMS,isomer #2C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CNS(N)(=O)=O)N([Si](C)(C)C)C3)[C@H](C)[C@H]123759.2Standard non polar33892256
Doripenem,3TMS,isomer #3C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(N)(=O)=O)C3)[C@H](C)[C@H]123365.4Semi standard non polar33892256
Doripenem,3TMS,isomer #3C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(N)(=O)=O)C3)[C@H](C)[C@H]123866.1Standard non polar33892256
Doripenem,3TMS,isomer #4C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123361.4Semi standard non polar33892256
Doripenem,3TMS,isomer #4C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123906.3Standard non polar33892256
Doripenem,3TMS,isomer #5C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)C3)[C@H](C)[C@H]123415.1Semi standard non polar33892256
Doripenem,3TMS,isomer #5C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)C3)[C@H](C)[C@H]123870.1Standard non polar33892256
Doripenem,3TMS,isomer #6C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]123406.2Semi standard non polar33892256
Doripenem,3TMS,isomer #6C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]123893.4Standard non polar33892256
Doripenem,3TMS,isomer #7C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(N)(=O)=O)N([Si](C)(C)C)C3)[C@H](C)[C@H]123319.8Semi standard non polar33892256
Doripenem,3TMS,isomer #7C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(N)(=O)=O)N([Si](C)(C)C)C3)[C@H](C)[C@H]123947.1Standard non polar33892256
Doripenem,3TMS,isomer #8C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123339.2Semi standard non polar33892256
Doripenem,3TMS,isomer #8C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123905.1Standard non polar33892256
Doripenem,3TMS,isomer #9C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)C3)[C@H](C)[C@H]123381.4Semi standard non polar33892256
Doripenem,3TMS,isomer #9C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)C3)[C@H](C)[C@H]123871.9Standard non polar33892256
Doripenem,4TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123336.1Semi standard non polar33892256
Doripenem,4TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]124020.9Standard non polar33892256
Doripenem,4TMS,isomer #10C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]123394.5Semi standard non polar33892256
Doripenem,4TMS,isomer #10C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]124097.3Standard non polar33892256
Doripenem,4TMS,isomer #11C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123376.9Semi standard non polar33892256
Doripenem,4TMS,isomer #11C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]124183.1Standard non polar33892256
Doripenem,4TMS,isomer #2C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)C3)[C@H](C)[C@H]123381.9Semi standard non polar33892256
Doripenem,4TMS,isomer #2C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)C3)[C@H](C)[C@H]123993.5Standard non polar33892256
Doripenem,4TMS,isomer #3C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]123372.6Semi standard non polar33892256
Doripenem,4TMS,isomer #3C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]124035.0Standard non polar33892256
Doripenem,4TMS,isomer #4C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(N)(=O)=O)N([Si](C)(C)C)C3)[C@H](C)[C@H]123310.0Semi standard non polar33892256
Doripenem,4TMS,isomer #4C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(N)(=O)=O)N([Si](C)(C)C)C3)[C@H](C)[C@H]124062.6Standard non polar33892256
Doripenem,4TMS,isomer #5C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123355.0Semi standard non polar33892256
Doripenem,4TMS,isomer #5C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]124085.9Standard non polar33892256
Doripenem,4TMS,isomer #6C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123371.6Semi standard non polar33892256
Doripenem,4TMS,isomer #6C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]124114.7Standard non polar33892256
Doripenem,4TMS,isomer #7C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]123439.8Semi standard non polar33892256
Doripenem,4TMS,isomer #7C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]124090.6Standard non polar33892256
Doripenem,4TMS,isomer #8C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123343.2Semi standard non polar33892256
Doripenem,4TMS,isomer #8C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]124089.0Standard non polar33892256
Doripenem,4TMS,isomer #9C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123366.6Semi standard non polar33892256
Doripenem,4TMS,isomer #9C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]124119.8Standard non polar33892256
Doripenem,5TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123380.4Semi standard non polar33892256
Doripenem,5TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]124202.5Standard non polar33892256
Doripenem,5TMS,isomer #2C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123391.8Semi standard non polar33892256
Doripenem,5TMS,isomer #2C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]124242.1Standard non polar33892256
Doripenem,5TMS,isomer #3C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]123411.2Semi standard non polar33892256
Doripenem,5TMS,isomer #3C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C3)[C@H](C)[C@H]124217.9Standard non polar33892256
Doripenem,5TMS,isomer #4C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123395.2Semi standard non polar33892256
Doripenem,5TMS,isomer #4C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]124308.7Standard non polar33892256
Doripenem,5TMS,isomer #5C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123388.3Semi standard non polar33892256
Doripenem,5TMS,isomer #5C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]124319.0Standard non polar33892256
Doripenem,6TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]123436.3Semi standard non polar33892256
Doripenem,6TMS,isomer #1C[C@@H](O[Si](C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C)S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3)[C@H](C)[C@H]124422.9Standard non polar33892256
Doripenem,1TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]123618.7Semi standard non polar33892256
Doripenem,1TBDMS,isomer #2C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]123635.6Semi standard non polar33892256
Doripenem,1TBDMS,isomer #3C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123723.8Semi standard non polar33892256
Doripenem,1TBDMS,isomer #4C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(N)(=O)=O)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123623.4Semi standard non polar33892256
Doripenem,1TBDMS,isomer #5C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(N)(=O)=O)C3)[C@H](C)[C@H]123720.2Semi standard non polar33892256
Doripenem,2TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]123750.1Semi standard non polar33892256
Doripenem,2TBDMS,isomer #10C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123885.7Semi standard non polar33892256
Doripenem,2TBDMS,isomer #11C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(N)(=O)=O)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123787.8Semi standard non polar33892256
Doripenem,2TBDMS,isomer #2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123826.8Semi standard non polar33892256
Doripenem,2TBDMS,isomer #3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(N)(=O)=O)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123731.2Semi standard non polar33892256
Doripenem,2TBDMS,isomer #4C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(N)(=O)=O)C3)[C@H](C)[C@H]123845.4Semi standard non polar33892256
Doripenem,2TBDMS,isomer #5C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123825.5Semi standard non polar33892256
Doripenem,2TBDMS,isomer #6C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CNS(N)(=O)=O)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123743.3Semi standard non polar33892256
Doripenem,2TBDMS,isomer #7C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(N)(=O)=O)C3)[C@H](C)[C@H]123837.4Semi standard non polar33892256
Doripenem,2TBDMS,isomer #8C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123811.7Semi standard non polar33892256
Doripenem,2TBDMS,isomer #9C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123888.0Semi standard non polar33892256
Doripenem,3TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123940.4Semi standard non polar33892256
Doripenem,3TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124623.3Standard non polar33892256
Doripenem,3TBDMS,isomer #10C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124021.5Semi standard non polar33892256
Doripenem,3TBDMS,isomer #10C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124653.9Standard non polar33892256
Doripenem,3TBDMS,isomer #11C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(N)(=O)=O)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123944.3Semi standard non polar33892256
Doripenem,3TBDMS,isomer #11C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(N)(=O)=O)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124688.4Standard non polar33892256
Doripenem,3TBDMS,isomer #12C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123973.2Semi standard non polar33892256
Doripenem,3TBDMS,isomer #12C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124710.7Standard non polar33892256
Doripenem,3TBDMS,isomer #13C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124019.1Semi standard non polar33892256
Doripenem,3TBDMS,isomer #13C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124694.2Standard non polar33892256
Doripenem,3TBDMS,isomer #14C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124063.1Semi standard non polar33892256
Doripenem,3TBDMS,isomer #14C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124693.6Standard non polar33892256
Doripenem,3TBDMS,isomer #2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CNS(N)(=O)=O)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123899.0Semi standard non polar33892256
Doripenem,3TBDMS,isomer #2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CNS(N)(=O)=O)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124510.2Standard non polar33892256
Doripenem,3TBDMS,isomer #3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(N)(=O)=O)C3)[C@H](C)[C@H]123964.2Semi standard non polar33892256
Doripenem,3TBDMS,isomer #3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(N)(=O)=O)C3)[C@H](C)[C@H]124649.5Standard non polar33892256
Doripenem,3TBDMS,isomer #4C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123941.9Semi standard non polar33892256
Doripenem,3TBDMS,isomer #4C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124664.4Standard non polar33892256
Doripenem,3TBDMS,isomer #5C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124000.6Semi standard non polar33892256
Doripenem,3TBDMS,isomer #5C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124667.7Standard non polar33892256
Doripenem,3TBDMS,isomer #6C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124014.0Semi standard non polar33892256
Doripenem,3TBDMS,isomer #6C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124655.9Standard non polar33892256
Doripenem,3TBDMS,isomer #7C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(N)(=O)=O)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123951.0Semi standard non polar33892256
Doripenem,3TBDMS,isomer #7C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(N)(=O)=O)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124699.1Standard non polar33892256
Doripenem,3TBDMS,isomer #8C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123951.7Semi standard non polar33892256
Doripenem,3TBDMS,isomer #8C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124658.9Standard non polar33892256
Doripenem,3TBDMS,isomer #9C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]123999.1Semi standard non polar33892256
Doripenem,3TBDMS,isomer #9C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124665.8Standard non polar33892256
Doripenem,4TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124108.1Semi standard non polar33892256
Doripenem,4TBDMS,isomer #1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]125016.3Standard non polar33892256
Doripenem,4TBDMS,isomer #10C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124206.5Semi standard non polar33892256
Doripenem,4TBDMS,isomer #10C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]125081.5Standard non polar33892256
Doripenem,4TBDMS,isomer #11C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124228.1Semi standard non polar33892256
Doripenem,4TBDMS,isomer #11C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]125134.0Standard non polar33892256
Doripenem,4TBDMS,isomer #2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124148.0Semi standard non polar33892256
Doripenem,4TBDMS,isomer #2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]125030.2Standard non polar33892256
Doripenem,4TBDMS,isomer #3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124177.2Semi standard non polar33892256
Doripenem,4TBDMS,isomer #3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@@H]3CN[C@H](CNS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]125028.1Standard non polar33892256
Doripenem,4TBDMS,isomer #4C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(N)(=O)=O)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124138.3Semi standard non polar33892256
Doripenem,4TBDMS,isomer #4C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(N)(=O)=O)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]125045.9Standard non polar33892256
Doripenem,4TBDMS,isomer #5C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124144.8Semi standard non polar33892256
Doripenem,4TBDMS,isomer #5C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]125092.1Standard non polar33892256
Doripenem,4TBDMS,isomer #6C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124191.1Semi standard non polar33892256
Doripenem,4TBDMS,isomer #6C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]125081.4Standard non polar33892256
Doripenem,4TBDMS,isomer #7C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124214.4Semi standard non polar33892256
Doripenem,4TBDMS,isomer #7C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]125081.2Standard non polar33892256
Doripenem,4TBDMS,isomer #8C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124149.1Semi standard non polar33892256
Doripenem,4TBDMS,isomer #8C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CN([Si](C)(C)C(C)(C)C)S(=O)(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]125088.8Standard non polar33892256
Doripenem,4TBDMS,isomer #9C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]124192.0Semi standard non polar33892256
Doripenem,4TBDMS,isomer #9C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(S[C@H]3C[C@@H](CNS(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3)[C@H](C)[C@H]125079.2Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Doripenem GC-MS (Non-derivatized) - 70eV, Positivesplash10-0f6w-9326200000-4861cde5290eee7204922017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Doripenem GC-MS (2 TMS) - 70eV, Positivesplash10-0592-7512950000-658532e2981499cd6edc2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Doripenem GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Doripenem 10V, Positive-QTOFsplash10-0it9-1943600000-f374d4830cbecd50a9792016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Doripenem 20V, Positive-QTOFsplash10-0a6r-2639000000-ff276497c5a02d2eafd52016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Doripenem 40V, Positive-QTOFsplash10-0006-8910000000-2dfefb21cf2232ae72ac2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Doripenem 10V, Negative-QTOFsplash10-004i-3119300000-37362f663b8286e96c132016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Doripenem 20V, Negative-QTOFsplash10-000i-9422000000-ba6e1cfe0c79c1e49b322016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Doripenem 40V, Negative-QTOFsplash10-004m-8910000000-dbf716b9b6fe4631d8372016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Doripenem 10V, Negative-QTOFsplash10-014i-0000900000-d0feed1f0dac6e4a2b5d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Doripenem 20V, Negative-QTOFsplash10-014j-0849700000-36f5a3df0235209ecea82021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Doripenem 40V, Negative-QTOFsplash10-004i-9261100000-7a9967815e8062e33fc22021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Doripenem 10V, Positive-QTOFsplash10-00di-0000900000-ac68f4c92b25764c0e482021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Doripenem 20V, Positive-QTOFsplash10-0uk9-0003900000-bc7509b063baf56ca2762021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Doripenem 40V, Positive-QTOFsplash10-0v00-3900000000-7822c9c5ed2340eee0462021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB06211
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID66040
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkDoripenem
METLIN IDNot Available
PubChem Compound73303
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available