447392 -OEChem-11151914223D 70 72 0 1 0 0 0 0 0999 V2000 -3.8247 -2.5829 1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3898 1.1231 -0.8176 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 2.6194 -0.4749 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 4.1685 1.3415 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6533 0.1840 1.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4156 2.9282 1.8531 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6644 -0.1299 2.2697 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5184 -0.5117 0.5929 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5632 -1.9829 -0.6818 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 1.0505 -0.1609 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3886 0.6171 1.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1317 -0.3742 0.2249 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9390 0.7841 0.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5202 1.7569 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1453 1.8623 -0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7704 0.9919 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0154 -0.0725 1.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4994 -1.7578 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3367 0.0313 1.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 -3.2236 -0.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 -3.2339 -0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4359 2.6274 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1922 -4.5582 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2735 2.8352 -1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -4.5831 0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0021 3.5881 -1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6501 3.6917 -2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8297 -0.1067 -0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5327 0.2527 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 2.2442 0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8904 -0.7080 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2412 -5.8856 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4137 -0.6116 -1.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8883 -0.1120 0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5346 -1.8141 -0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 -1.7178 -2.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1185 -2.3189 -1.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4337 3.1344 1.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3507 -0.2055 1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9098 1.5797 1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4329 0.2580 2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0946 -0.0310 -0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3304 -0.8178 2.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 -0.6427 1.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6584 -3.3446 -1.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -4.0475 -0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0883 -2.4144 -0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7572 -3.0668 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 -1.1921 1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5036 2.5844 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3552 -1.2382 -1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -4.7099 -1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 -5.3880 0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 2.9423 -1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2478 -4.4583 1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1238 -3.7445 0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 4.2519 -2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3149 4.4340 -2.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -6.7434 0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5203 -6.0226 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -5.8823 0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5927 -0.1530 -2.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1755 -1.1007 0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6276 0.6233 0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8671 -0.1217 1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3595 -2.2968 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -2.1112 -3.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6187 -3.1815 -2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0062 4.7927 2.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9552 0.5210 2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 29 2 0 0 0 0 3 30 2 0 0 0 0 4 38 1 0 0 0 0 4 69 1 0 0 0 0 5 39 1 0 0 0 0 5 70 1 0 0 0 0 6 38 2 0 0 0 0 7 39 2 0 0 0 0 8 12 1 0 0 0 0 8 29 1 0 0 0 0 8 49 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 9 51 1 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 18 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 19 2 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 26 1 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 27 1 0 0 0 0 24 54 1 0 0 0 0 25 32 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 31 1 0 0 0 0 28 33 2 0 0 0 0 29 34 1 0 0 0 0 30 38 1 0 0 0 0 31 35 2 0 0 0 0 31 39 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 36 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 37 1 0 0 0 0 35 66 1 0 0 0 0 36 37 2 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 M END > DB01820 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UESXELNYBIOROE-QHCPKHFHSA-N/SDF?record_type=3d > [H]N(CCCCC)C(=O)[C@H](CC1=CC=C(N(C(=O)C(O)=O)C2=CC=CC=C2C(O)=O)C2=CC=CC=C12)N([H])C(C)=O > InChI=1S/C29H31N3O7/c1-3-4-9-16-30-26(34)23(31-18(2)33)17-19-14-15-25(21-11-6-5-10-20(19)21)32(27(35)29(38)39)24-13-8-7-12-22(24)28(36)37/h5-8,10-15,23H,3-4,9,16-17H2,1-2H3,(H,30,34)(H,31,33)(H,36,37)(H,38,39)/t23-/m0/s1 > UESXELNYBIOROE-QHCPKHFHSA-N > C29H31N3O7 > 533.5723 > 533.216200361 > 7 > 70 > 54.95615833130542 > 0 > 4 > 0 > 0 > 2-(1-carboxy-N-{4-[(2S)-2-acetamido-2-(pentylcarbamoyl)ethyl]naphthalen-1-yl}formamido)benzoic acid > 3.448051481999999 > 1 > 3 > -2 > 3.504466854937092 > 2.528974367045326 > -1.9399351522025516 > 153.11 > 143.0114 > 12 > 0 > 4-[(2S)-2-{[(3S)-1-{[1,1'-biphenyl]-4-ylmethyl}-2-oxoazepan-3-yl]carbamoyl}-2-acetamidoethyl]-2-phosphonophenoxyacetic acid > 0 $$$$