68606480 -OEChem-03282409482D 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 4.6200 2.2953 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 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 4.1200 1.4293 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 5.7957 -2.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 1.4293 0.0000 C 0 0 2 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 3.8181 -1.7523 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 9.6106 0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 0.5633 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 7.1668 2.2912 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 6.4088 -2.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 1.9662 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 3.2050 -1.6599 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 2.0831 0.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 0.2533 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 11 1 0 0 0 0 2 10 2 0 0 0 0 3 13 2 0 0 0 0 7 4 1 1 0 0 0 4 13 1 0 0 0 0 4 27 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 28 1 0 0 0 0 16 6 1 6 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 14 2 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 18 2 0 0 0 0 13 16 1 0 0 0 0 14 19 1 0 0 0 0 14 29 1 0 0 0 0 15 20 2 0 0 0 0 15 30 1 0 0 0 0 16 22 1 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 18 23 1 0 0 0 0 18 33 1 0 0 0 0 19 24 2 0 0 0 0 19 34 1 0 0 0 0 20 24 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END > 68606480 > 1 > 467 > 4 > 3 > 3 > AAADceB7MABAAAAAAAAAAAAAAAAAAAAAAAAwYAAABYAAAAABQAAAHgQQAAAADCjF2ASywYLAAAiIAiVSUACCAAAhChAIiJ2IZIgIYDLgkbGUIAhglgDoyAcYiICOAAAAAAAAAQAAAAAAAAACAAAAAAAAAA== > (2S)-2-amino-N-[(2S,3S)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]propanamide > (2S)-2-amino-N-[(2S,3S)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]propanamide > (2S)-2-amino-N-[(2S,3S)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]propanamide > (2S)-2-amino-N-[(2S,3S)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]propanamide > (2S)-2-azanyl-N-[(2S,3S)-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]propanamide > (2S)-2-amino-N-[(2S,3S)-4-keto-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]propionamide > InChI=1S/C18H19N3O2S/c1-11(19)17(22)21-15-16(12-7-3-2-4-8-12)24-14-10-6-5-9-13(14)20-18(15)23/h2-11,15-16H,19H2,1H3,(H,20,23)(H,21,22)/t11-,15+,16-/m0/s1 > GEOWCZNDGAFVHZ-XZJROXQQSA-N > 1.8 > 341.11979803 > C18H19N3O2S > 341.4 > CC(C(=O)NC1C(SC2=CC=CC=C2NC1=O)C3=CC=CC=C3)N > C[C@@H](C(=O)N[C@@H]1[C@@H](SC2=CC=CC=C2NC1=O)C3=CC=CC=C3)N > 110 > 341.11979803 > 0 > 24 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 8 11 17 8 12 18 8 14 19 8 15 20 8 17 21 8 18 23 8 19 24 8 20 24 8 21 23 8 7 4 5 16 6 6 8 9 5 9 14 8 9 15 8 $$$$