HMDB0253010 RDKit 3D D-Phenylalanyl-L-2-piperidinecarbonyl-N-(4-nitro phenyl)-L-argininamide 76 78 0 0 0 0 0 0 0 0999 V2000 -5.1312 -5.1561 1.4553 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4597 -5.5808 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6534 -6.8734 -0.2065 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6727 -4.7334 -0.3499 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5972 -3.4202 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6479 -2.3040 -0.7676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6917 -0.9577 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6211 -0.3499 0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3968 0.0090 -0.0407 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1048 0.1639 0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -0.1193 1.6276 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9905 0.6758 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 0.9354 -1.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8069 -0.1674 -2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5614 -1.3339 -2.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0401 -1.3974 -0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 -0.0757 -0.4149 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4011 0.5469 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 1.7590 0.5037 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8331 0.2635 -0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1756 -0.9262 -0.8208 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4531 0.2025 1.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9189 0.0613 1.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5196 0.0738 2.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8576 0.0272 2.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6709 -0.0383 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1570 -0.0570 0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7650 -0.0058 0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 1.0506 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0229 1.3357 2.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7054 1.8192 0.0402 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2827 3.1012 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5112 4.2245 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0821 5.4893 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4332 5.6245 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0513 6.9187 0.0082 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.3095 7.0216 -0.0829 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3179 8.0703 0.0432 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.2058 4.4818 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6629 3.2308 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1274 -4.9137 1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5652 -5.1040 2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4000 -7.0216 -0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1373 -7.7217 0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 -3.3086 0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7352 -3.3492 0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8076 -2.3925 -1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5906 -2.4366 -1.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6171 -1.0183 0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1144 -0.2625 -0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3604 -0.8523 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 0.1525 -1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2367 1.7365 0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 1.3892 -1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2511 1.8285 -2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3464 0.2619 -3.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1684 -0.4732 -3.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 -2.2802 -2.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4834 -1.5321 -2.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8731 -2.0882 -0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1918 -1.8983 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3528 1.1253 -0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3659 -1.7695 -0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -0.9062 -1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1557 1.0921 1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 -0.6812 1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8679 0.1221 3.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3021 0.0213 3.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7433 -0.0742 1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7488 -0.0885 -0.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 -0.0049 -0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6184 1.4010 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4113 4.1929 0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4153 6.3617 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2864 4.5958 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2590 2.3066 -0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 8 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 36 38 1 0 35 39 1 0 39 40 2 0 17 12 1 0 28 23 1 0 40 32 1 0 1 41 1 0 1 42 1 0 3 43 1 0 3 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 6 48 1 0 7 49 1 0 7 50 1 0 8 51 1 0 9 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 14 57 1 0 15 58 1 0 15 59 1 0 16 60 1 0 16 61 1 0 20 62 1 0 21 63 1 0 21 64 1 0 22 65 1 0 22 66 1 0 24 67 1 0 25 68 1 0 26 69 1 0 27 70 1 0 28 71 1 0 31 72 1 0 33 73 1 0 34 74 1 0 39 75 1 0 40 76 1 0 M CHG 2 36 1 38 -1 M END