5288593 -OEChem-03271816003D 65 67 0 1 0 0 0 0 0999 V2000 -3.3463 -1.4938 1.3796 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4964 -3.8033 -0.7206 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4407 -4.0645 0.0293 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1845 -1.0403 2.1202 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4997 -2.0216 2.0829 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -2.2699 -1.7005 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8623 -2.6170 0.2014 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0606 -0.4477 -0.2481 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0611 -1.4420 -0.6029 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3529 -1.9144 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 -0.8059 0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -0.4752 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1985 -2.6446 -1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7565 -0.0776 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8664 0.2042 1.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 -3.2289 -2.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0023 0.7946 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0171 -3.5088 -1.1525 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7795 -0.8931 1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2564 1.6815 0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8026 -2.2564 -0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0335 -0.0061 2.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7719 1.2811 1.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9837 3.0165 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1622 3.2624 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8662 4.0578 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9194 -0.1481 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4256 4.5492 -1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6027 5.3448 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4568 5.5904 -0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2365 1.0360 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7807 2.0248 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5593 0.5374 -1.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 1.7786 -1.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 -0.9674 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 -2.6588 -0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1161 -2.4471 1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2788 -1.2897 0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0555 -0.7870 -1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9449 0.5432 -1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6080 0.5883 -0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7297 0.7251 1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3582 -0.2823 2.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2518 0.9972 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -4.1606 -2.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -2.8307 -3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 -1.2903 -1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3798 1.1013 -1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6974 -4.2643 -1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9663 -1.8940 1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -1.8150 -1.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1386 -1.5142 -0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -0.3185 3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1871 1.9593 2.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5451 -3.3133 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0891 -3.3720 0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8461 2.4569 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7642 3.8832 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3152 4.7394 -1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2899 6.1556 0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2525 6.5921 -1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3179 1.2203 0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2927 2.9896 -0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4838 0.2957 -1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4075 2.5354 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 27 1 0 0 0 0 2 13 2 0 0 0 0 3 18 1 0 0 0 0 3 56 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 47 1 0 0 0 0 7 21 1 0 0 0 0 7 55 1 0 0 0 0 8 27 1 0 0 0 0 8 33 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 0 0 0 0 12 17 1 0 0 0 0 12 19 2 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 20 2 0 0 0 0 17 48 1 0 0 0 0 18 21 1 0 0 0 0 18 49 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 25 57 1 0 0 0 0 26 29 2 0 0 0 0 26 58 1 0 0 0 0 27 31 2 0 0 0 0 28 30 2 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 34 2 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 M END > DB04244 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YCDHZDINQZLSRR-DNQXCXABSA-N/SDF?record_type=3d > [H]N(C[C@@H](O)CN([H])S(=O)(=O)C1=CC=CC=N1)C(=O)[C@H](CC(C)C)C1=CC=CC(=C1)C1=CC=CC=C1 > InChI=1S/C26H31N3O4S/c1-19(2)15-24(22-12-8-11-21(16-22)20-9-4-3-5-10-20)26(31)28-17-23(30)18-29-34(32,33)25-13-6-7-14-27-25/h3-14,16,19,23-24,29-30H,15,17-18H2,1-2H3,(H,28,31)/t23-,24-/m1/s1 > YCDHZDINQZLSRR-DNQXCXABSA-N > C26H31N3O4S > 481.607 > 481.203527185 > 5 > 65 > 52.53192441292936 > 1 > 3 > 0 > 0 > (2R)-2-{[1,1'-biphenyl]-3-yl}-N-[(2R)-2-hydroxy-3-(pyridine-2-sulfonamido)propyl]-4-methylpentanamide > 2.81 > 3.7719734930000004 > -5.28 > 1 > 3 > 0 > 14.306063428247498 > 8.863549078361135 > -0.729166382363356 > 108.39 > 132.8085 > 10 > 1 > 2.52e-03 g/l > (2R)-2-{[1,1'-biphenyl]-3-yl}-N-[(2R)-2-hydroxy-3-(pyridine-2-sulfonamido)propyl]-4-methylpentanamide > 0 $$$$