Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-11 23:39:25 UTC |
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Update Date | 2021-09-26 23:18:04 UTC |
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HMDB ID | HMDB0260126 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide |
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Description | 1-(2-{4-[2-(2,4-dichlorophenoxy)acetamido]phenyl}acetyl)-6'-oxo-hexahydrospiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboximidic acid belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Based on a literature review very few articles have been published on 1-(2-{4-[2-(2,4-dichlorophenoxy)acetamido]phenyl}acetyl)-6'-oxo-hexahydrospiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboximidic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). (2r,4'r,8a'r)-1-(2-(4-(2-(2,4-dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'h,6'h-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=C(Cl)C=C(Cl)C=C4)C=C3)C(=O)N12 InChI=1S/C27H28Cl2N4O5S/c28-17-4-7-21(19(29)13-17)38-15-22(34)31-18-5-2-16(3-6-18)12-23(35)32-10-1-9-27(32)14-24-33(26(27)37)20(25(30)36)8-11-39-24/h2-7,13,20,24H,1,8-12,14-15H2,(H2,30,36)(H,31,34) |
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Synonyms | Value | Source |
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1-(2-{4-[2-(2,4-dichlorophenoxy)acetamido]phenyl}acetyl)-6'-oxo-hexahydrospiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboximidate | Generator |
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Chemical Formula | C27H28Cl2N4O5S |
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Average Molecular Weight | 591.5 |
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Monoisotopic Molecular Weight | 590.1157466 |
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IUPAC Name | 1-(2-{4-[2-(2,4-dichlorophenoxy)acetamido]phenyl}acetyl)-6'-oxo-hexahydrospiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide |
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Traditional Name | 1-(2-{4-[2-(2,4-dichlorophenoxy)acetamido]phenyl}acetyl)-6'-oxo-tetrahydro-2'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide |
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CAS Registry Number | Not Available |
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SMILES | NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=C(Cl)C=C(Cl)C=C4)C=C3)C(=O)N12 |
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InChI Identifier | InChI=1S/C27H28Cl2N4O5S/c28-17-4-7-21(19(29)13-17)38-15-22(34)31-18-5-2-16(3-6-18)12-23(35)32-10-1-9-27(32)14-24-33(26(27)37)20(25(30)36)8-11-39-24/h2-7,13,20,24H,1,8-12,14-15H2,(H2,30,36)(H,31,34) |
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InChI Key | HBLHLJXFIPCEMW-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Dipeptides |
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Alternative Parents | |
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Substituents | - Alpha-dipeptide
- Alpha-amino acid amide
- Phenylacetamide
- Alpha-amino acid or derivatives
- Anilide
- Diazaspirononane
- Phenoxy compound
- N-arylamide
- Phenol ether
- N-acylpyrrolidine
- 1,3-dichlorobenzene
- Halobenzene
- Chlorobenzene
- Alkyl aryl ether
- Benzenoid
- N-alkylpyrrolidine
- 1,3-thiazinane
- 2-pyrrolidone
- Pyrrolidone
- Monocyclic benzene moiety
- Aryl halide
- Aryl chloride
- Tertiary carboxylic acid amide
- Pyrrolidine
- Secondary carboxylic acid amide
- Primary carboxylic acid amide
- Lactam
- Carboxamide group
- Azacycle
- Organoheterocyclic compound
- Dialkylthioether
- Hemithioaminal
- Thioether
- Ether
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organochloride
- Organohalogen compound
- Carbonyl group
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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(2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide | NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=C(Cl)C=C(Cl)C=C4)C=C3)C(=O)N12 | 6196.2 | Standard polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide | NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=C(Cl)C=C(Cl)C=C4)C=C3)C(=O)N12 | 4548.5 | Standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide | NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=C(Cl)C=C(Cl)C=C4)C=C3)C(=O)N12 | 5431.5 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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(2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,1TMS,isomer #1 | C[Si](C)(C)NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=CC=C(Cl)C=C4Cl)C=C3)C(=O)N21 | 5034.9 | Semi standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,1TMS,isomer #1 | C[Si](C)(C)NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=CC=C(Cl)C=C4Cl)C=C3)C(=O)N21 | 4534.3 | Standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,1TMS,isomer #1 | C[Si](C)(C)NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=CC=C(Cl)C=C4Cl)C=C3)C(=O)N21 | 6498.5 | Standard polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,1TMS,isomer #2 | C[Si](C)(C)N(C(=O)COC1=CC=C(Cl)C=C1Cl)C1=CC=C(CC(=O)N2CCCC23CC2SCCC(C(N)=O)N2C3=O)C=C1 | 4946.0 | Semi standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,1TMS,isomer #2 | C[Si](C)(C)N(C(=O)COC1=CC=C(Cl)C=C1Cl)C1=CC=C(CC(=O)N2CCCC23CC2SCCC(C(N)=O)N2C3=O)C=C1 | 4418.0 | Standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,1TMS,isomer #2 | C[Si](C)(C)N(C(=O)COC1=CC=C(Cl)C=C1Cl)C1=CC=C(CC(=O)N2CCCC23CC2SCCC(C(N)=O)N2C3=O)C=C1 | 6745.3 | Standard polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,2TMS,isomer #1 | C[Si](C)(C)N(C(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=CC=C(Cl)C=C4Cl)C=C3)C(=O)N21)[Si](C)(C)C | 5068.3 | Semi standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,2TMS,isomer #1 | C[Si](C)(C)N(C(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=CC=C(Cl)C=C4Cl)C=C3)C(=O)N21)[Si](C)(C)C | 4591.3 | Standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,2TMS,isomer #1 | C[Si](C)(C)N(C(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=CC=C(Cl)C=C4Cl)C=C3)C(=O)N21)[Si](C)(C)C | 6261.5 | Standard polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,2TMS,isomer #2 | C[Si](C)(C)NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(N(C(=O)COC4=CC=C(Cl)C=C4Cl)[Si](C)(C)C)C=C3)C(=O)N21 | 4846.0 | Semi standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,2TMS,isomer #2 | C[Si](C)(C)NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(N(C(=O)COC4=CC=C(Cl)C=C4Cl)[Si](C)(C)C)C=C3)C(=O)N21 | 4429.4 | Standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,2TMS,isomer #2 | C[Si](C)(C)NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(N(C(=O)COC4=CC=C(Cl)C=C4Cl)[Si](C)(C)C)C=C3)C(=O)N21 | 6122.2 | Standard polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,3TMS,isomer #1 | C[Si](C)(C)N(C(=O)COC1=CC=C(Cl)C=C1Cl)C1=CC=C(CC(=O)N2CCCC23CC2SCCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N2C3=O)C=C1 | 4898.5 | Semi standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,3TMS,isomer #1 | C[Si](C)(C)N(C(=O)COC1=CC=C(Cl)C=C1Cl)C1=CC=C(CC(=O)N2CCCC23CC2SCCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N2C3=O)C=C1 | 4498.6 | Standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,3TMS,isomer #1 | C[Si](C)(C)N(C(=O)COC1=CC=C(Cl)C=C1Cl)C1=CC=C(CC(=O)N2CCCC23CC2SCCC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N2C3=O)C=C1 | 5841.4 | Standard polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=CC=C(Cl)C=C4Cl)C=C3)C(=O)N21 | 5310.1 | Semi standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=CC=C(Cl)C=C4Cl)C=C3)C(=O)N21 | 4750.4 | Standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=CC=C(Cl)C=C4Cl)C=C3)C(=O)N21 | 6493.0 | Standard polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(C(=O)COC1=CC=C(Cl)C=C1Cl)C1=CC=C(CC(=O)N2CCCC23CC2SCCC(C(N)=O)N2C3=O)C=C1 | 5210.1 | Semi standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(C(=O)COC1=CC=C(Cl)C=C1Cl)C1=CC=C(CC(=O)N2CCCC23CC2SCCC(C(N)=O)N2C3=O)C=C1 | 4639.6 | Standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(C(=O)COC1=CC=C(Cl)C=C1Cl)C1=CC=C(CC(=O)N2CCCC23CC2SCCC(C(N)=O)N2C3=O)C=C1 | 6739.7 | Standard polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(C(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=CC=C(Cl)C=C4Cl)C=C3)C(=O)N21)[Si](C)(C)C(C)(C)C | 5448.3 | Semi standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(C(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=CC=C(Cl)C=C4Cl)C=C3)C(=O)N21)[Si](C)(C)C(C)(C)C | 4966.6 | Standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(C(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(NC(=O)COC4=CC=C(Cl)C=C4Cl)C=C3)C(=O)N21)[Si](C)(C)C(C)(C)C | 6212.9 | Standard polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(N(C(=O)COC4=CC=C(Cl)C=C4Cl)[Si](C)(C)C(C)(C)C)C=C3)C(=O)N21 | 5282.7 | Semi standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(N(C(=O)COC4=CC=C(Cl)C=C4Cl)[Si](C)(C)C(C)(C)C)C=C3)C(=O)N21 | 4825.2 | Standard non polar | 33892256 | (2R,4'R,8a'R)-1-(2-(4-(2-(2,4-Dichlorophenoxy)acetamido)phenyl)acetyl)-6'-oxotetrahydro-2'H,6'H-spiro[pyrrolidine-2,7'-pyrrolo[2,1-b][1,3]thiazine]-4'-carboxamide,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC(=O)C1CCSC2CC3(CCCN3C(=O)CC3=CC=C(N(C(=O)COC4=CC=C(Cl)C=C4Cl)[Si](C)(C)C(C)(C)C)C=C3)C(=O)N21 | 6112.1 | Standard polar | 33892256 |
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