5289294 -OEChem-10051720203D 54 54 0 1 0 0 0 0 0999 V2000 -0.0773 -1.7120 1.4094 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8101 0.9324 -1.6574 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 0.1594 -2.5145 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0695 -1.3759 1.7685 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9025 0.8485 1.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0576 -2.6040 -0.4073 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6233 -0.2490 -0.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2828 -0.6187 -0.7448 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6527 0.5939 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0512 -3.3104 0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0834 -2.8316 -0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 -3.6950 0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8864 1.2831 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 -1.6931 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 2.4398 0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3388 -3.9422 -1.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4054 -2.4074 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5915 0.1138 -1.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9207 0.4766 -0.6483 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2160 2.2304 0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3637 3.7187 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -0.7224 0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1035 3.2999 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2513 4.7880 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6212 4.5785 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5558 -0.3014 1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3378 -1.0567 -1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2497 1.3224 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6202 0.2660 -1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4559 -4.1700 1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9099 -2.5103 1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6823 -1.9590 -0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7635 -4.5388 -0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0325 -4.0097 1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2894 0.5755 1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0629 1.6425 0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 -2.5006 -1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -0.2036 0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6444 -4.8738 -0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4517 -4.1452 -1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -3.6513 -1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -3.2423 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 -1.5971 1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1099 -2.0470 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7289 1.3131 0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 1.2381 0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2987 3.8938 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7703 -1.3039 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0369 -1.3779 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 3.1367 0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 5.7836 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3123 5.4111 0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5984 1.2889 -1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7373 -1.1113 2.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 19 1 0 0 0 0 2 53 1 0 0 0 0 3 18 2 0 0 0 0 4 26 1 0 0 0 0 4 54 1 0 0 0 0 5 26 2 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 27 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 0 0 0 0 19 45 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 21 24 2 0 0 0 0 21 47 1 0 0 0 0 22 26 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 25 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 M END > DB03691 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KVZMXOVSHIMGNA-HOTGVXAUSA-N/SDF?record_type=3d > [H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CCC1=CC=CC=C1)C(=O)NCCC(C)C > InChI=1S/C19H28N2O5/c1-13(2)10-11-20-18(25)15(9-8-14-6-4-3-5-7-14)21-19(26)16(22)12-17(23)24/h3-7,13,15-16,22H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t15-,16-/m0/s1 > KVZMXOVSHIMGNA-HOTGVXAUSA-N > C19H28N2O5 > 364.436 > 364.199822016 > 5 > 54 > -0.9990074847108115 > 39.76028682444474 > 1 > 4 > 0 > 1 > (3S)-3-hydroxy-3-{[(1S)-1-[(3-methylbutyl)carbamoyl]-3-phenylpropyl]carbamoyl}propanoic acid > 1.26 > 1.4783861703333327 > -3.39 > 0 > -1 > 1 > -1 > 12.42699927841929 > 3.9988634428206193 > -3.3819224242913517 > 115.72999999999999 > 96.53369999999998 > 11 > 1 > 1.49e-01 g/l > biotin > 0 $$$$