5287515 -OEChem-11151913553D 81 84 0 1 0 0 0 0 0999 V2000 2.6014 3.0672 -1.5236 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3765 0.1956 0.0564 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9453 -2.4481 -1.6253 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7889 3.7351 1.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1647 -3.8347 2.9436 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 4.6089 -1.2485 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9834 3.1541 -1.4923 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1323 2.5423 -2.8249 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7128 4.3436 1.7824 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 5.3826 0.4319 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6302 -0.0292 -2.0173 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1944 -1.6544 -0.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1584 -3.2955 0.6785 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2019 -1.5652 -1.3683 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4138 -2.8727 -1.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2024 -3.1177 -2.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 -2.0885 -3.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6994 -0.6681 -3.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 -0.3805 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6012 1.0267 -1.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3041 -2.1368 0.7516 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4938 -2.0918 -0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 0.4971 -1.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1019 -0.8394 0.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2185 0.3805 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9156 0.0697 -1.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9416 0.4325 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8601 1.0745 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0751 -0.4220 -1.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1009 -0.0591 0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1678 -0.4865 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 0.8140 2.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0434 2.2018 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -4.0480 1.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 2.6352 1.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9437 1.9412 2.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3700 -0.9965 0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3946 -5.2163 1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4868 -2.3581 0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4124 -0.1268 1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4951 3.5508 1.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6459 -2.8501 1.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5714 -0.6188 1.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6880 -1.9805 1.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4721 4.5320 1.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7381 -1.3605 -2.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0772 -3.7209 -1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 -2.8988 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5949 -3.1576 -3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 -4.1083 -2.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1078 -2.1418 -2.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 -2.3740 -4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2967 -0.6550 -3.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3449 -0.0707 -3.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 -1.4103 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 1.5694 -2.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1537 1.7682 -1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6273 -2.2719 1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8044 -0.7104 0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7318 -0.9045 1.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5288 -3.5602 -0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8564 0.1158 -2.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1235 0.7681 0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2202 0.7431 -1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8973 -0.7511 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1572 -0.1010 1.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0322 0.2807 3.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6002 2.2714 3.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2321 -4.8828 0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7924 -5.6732 2.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8081 -5.9585 0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6838 -3.0499 0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3378 0.9375 0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5569 3.7333 2.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1208 2.5397 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8968 5.2667 -1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 3.5644 -2.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7369 -3.9102 1.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3831 0.0581 1.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5904 -2.3635 2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3656 4.9709 1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 33 1 0 0 0 0 2 19 2 0 0 0 0 3 22 2 0 0 0 0 4 35 1 0 0 0 0 4 41 1 0 0 0 0 5 34 2 0 0 0 0 6 76 1 0 0 0 0 7 77 1 0 0 0 0 9 45 1 0 0 0 0 9 81 1 0 0 0 0 10 45 2 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 12 55 1 0 0 0 0 13 21 1 0 0 0 0 13 34 1 0 0 0 0 13 61 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 20 23 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 58 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 28 2 0 0 0 0 25 32 1 0 0 0 0 26 29 1 0 0 0 0 26 62 1 0 0 0 0 27 30 2 0 0 0 0 27 63 1 0 0 0 0 28 33 1 0 0 0 0 28 64 1 0 0 0 0 29 31 2 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 31 37 1 0 0 0 0 32 36 2 0 0 0 0 32 67 1 0 0 0 0 33 35 2 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 36 68 1 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 42 1 0 0 0 0 39 72 1 0 0 0 0 40 43 2 0 0 0 0 40 73 1 0 0 0 0 41 45 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 44 2 0 0 0 0 42 78 1 0 0 0 0 43 44 1 0 0 0 0 43 79 1 0 0 0 0 44 80 1 0 0 0 0 M END > DB01908 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MWEWSHNGVWABKG-SVBPBHIXSA-N/SDF?record_type=3d > CC(=O)N[C@@H](CC1=CC=C(OCC(O)=O)C(=C1)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O > InChI=1S/C32H36N3O9P/c1-21(36)33-27(17-23-12-15-28(44-20-30(37)38)29(18-23)45(41,42)43)31(39)34-26-9-5-6-16-35(32(26)40)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,18,26-27H,5-6,9,16-17,19-20H2,1H3,(H,33,36)(H,34,39)(H,37,38)(H2,41,42,43)/t26-,27-/m0/s1 > MWEWSHNGVWABKG-SVBPBHIXSA-N > C32H36N3O9P > 637.6167 > 637.218916277 > 9 > 81 > 65.45963231402663 > 0 > 5 > 0 > 0 > 2-{4-[(2S)-2-{[(3S)-1-({[1,1'-biphenyl]-4-yl}methyl)-2-oxoazepan-3-yl]carbamoyl}-2-acetamidoethyl]-2-phosphonophenoxy}acetic acid > 1.629400000000001 > 1 > 4 > -3 > 3.5185214995017025 > 1.6108791678836991 > -1.939045727374257 > 182.56999999999996 > 164.3515 > 12 > 0 > 4-[(2S)-2-{[(3S)-1-{[1,1'-biphenyl]-4-ylmethyl}-2-oxoazepan-3-yl]carbamoyl}-2-acetamidoethyl]-2-phosphonophenoxyacetic acid > 0 $$$$