Mrv0541 02231217332D 34 36 0 0 1 0 999 V2000 1.4708 -2.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 -2.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8671 -1.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -3.2758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8487 -3.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0468 -4.3055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4432 -2.9326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2358 -3.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8303 -2.5894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6321 -1.7886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6229 -2.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2174 -2.2462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0100 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8026 -2.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7812 -3.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2388 -1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6668 -1.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8956 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6964 -0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2685 -0.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0397 -1.4842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 -3.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 -4.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 -5.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2726 -4.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0745 -4.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 -3.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2818 -3.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3127 -4.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1053 -4.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3034 -3.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -2.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 -3.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 17 22 1 0 0 0 0 5 23 1 1 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 23 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 29 34 1 0 0 0 0 M END > DB04244 > drugbank > CC(C)C[C@@H](C(=O)NC[C@H](O)CNS(=O)(=O)C1=CC=CC=N1)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+/m0/s1 > InChIKey=YCDHZDINQZLSRR-BJKOFHAPSA-N > 5 > 52.213040185009504 > 1 > 3 > 481.203527185 > 0 > C26H31N3O4S > 0 > (2R)-N-[(2S)-2-hydroxy-3-(pyridine-2-sulfonamido)propyl]-4-methyl-2-(3-phenylphenyl)pentanamide > 2.81 > 3.7719734930000004 > -5.28 > 481.607 > 1 > 3 > 0 > 14.306063428247374 > 8.86354906222886 > -0.8288708831793791 > 108.39 > 132.8085 > 10 > 1 > 2.52e-03 g/l > (2R)-N-[(2S)-2-hydroxy-3-(pyridine-2-sulfonamido)propyl]-4-methyl-2-(3-phenylphenyl)pentanamide > 0 > DB04244 > experimental > 1-[2-(3-Biphenyl)-4-Methylvaleryl)]Amino-3-(2-Pyridylsulfonyl)Amino-2-Propanone $$$$