68684665 -OEChem-03282420032D 43 45 0 1 0 0 0 0 0999 V2000 7.0288 -0.5602 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4304 2.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 0.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 0.5633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0288 1.6868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.2953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 0.5633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0539 -0.3377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4304 -1.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0539 1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 1.4293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8106 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8106 1.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 2.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7957 -2.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4416 -0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7046 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7046 1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1722 -2.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8181 -1.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6106 0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6106 1.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1834 -2.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2901 0.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 -0.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 0.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 1.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1668 2.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1569 1.9853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 2.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 2.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4088 -2.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -0.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6974 -1.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6974 2.2179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 -3.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -1.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1464 -0.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1464 1.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7968 -3.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 2.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 10 2 0 0 0 0 3 17 2 0 0 0 0 7 4 1 1 0 0 0 11 4 1 6 0 0 0 4 27 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 29 1 0 0 0 0 6 17 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 1 0 0 0 8 26 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 19 2 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 16 21 2 0 0 0 0 16 34 1 0 0 0 0 18 22 1 0 0 0 0 18 35 1 0 0 0 0 19 23 1 0 0 0 0 19 36 1 0 0 0 0 20 24 2 0 0 0 0 20 37 1 0 0 0 0 21 24 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END > 68684665 > 1 > 467 > 4 > 3 > 4 > AAADceB7MABAAAAAAAAAAAAAAAAAAAAAAAAwYAAABYAAAAABQAAAHgQQAAAADCjF2ASywYLAAAiIAiVSUACCAAAhChAIiJ2IZIgIYDLgkbGUIAhglADoyAcYiICOAAAAAAAAAQAAAAAAAAACAAAAAAAAAA== > (2S)-2-[[(2S,3S)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]amino]propanamide > (2S)-2-[[(2S,3S)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]amino]propanamide > (2S)-2-[[(2S,3S)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]amino]propanamide > (2S)-2-[[(2S,3S)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]amino]propanamide > (2S)-2-[[(2S,3S)-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]amino]propanamide > (2S)-2-[[(2S,3S)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]amino]propionamide > InChI=1S/C18H19N3O2S/c1-11(17(19)22)20-15-16(12-7-3-2-4-8-12)24-14-10-6-5-9-13(14)21-18(15)23/h2-11,15-16,20H,1H3,(H2,19,22)(H,21,23)/t11-,15+,16-/m0/s1 > VPNLYXTWMUVVIN-XZJROXQQSA-N > 1.9 > 341.11979803 > C18H19N3O2S > 341.4 > CC(C(=O)N)NC1C(SC2=CC=CC=C2NC1=O)C3=CC=CC=C3 > C[C@@H](C(=O)N)N[C@@H]1[C@@H](SC2=CC=CC=C2NC1=O)C3=CC=CC=C3 > 110 > 341.11979803 > 0 > 24 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 13 8 12 18 8 13 19 8 15 20 8 16 21 8 18 22 8 19 23 8 20 24 8 21 24 8 22 23 8 11 4 6 7 4 5 8 9 5 9 15 8 9 16 8 $$$$