null CDK 0224162307 null 25 28 0 0 0 0 0 0 0 0999 V2000 -0.5763 2.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0558 2.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2321 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 1.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 0.5115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0764 -0.2665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5134 -0.9662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3330 -1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9179 -0.4790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6732 -0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8974 -1.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3383 -0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2481 0.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8277 0.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 0.7819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6034 -0.0150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1122 0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8135 0.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0053 -0.6324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8277 -0.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5174 0.6003 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 -1.6356 0.0000 O 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 3 4 2 0 0 0 0 5 3 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 9 1 0 0 0 0 16 15 1 6 0 0 0 16 5 1 0 0 0 0 16 17 1 0 0 0 0 17 7 1 0 0 0 0 17 18 1 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 22 23 1 0 0 0 0 23 19 1 0 0 0 0 6 24 1 1 0 0 0 24 25 1 0 0 0 0 M END > CHEBI:99881 > LSM-11260 > 2 > C17H19N3O4S > 361.417 > 361.10963 > 0 > COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@@H]1N2CC4=NC=CS4)CO > InChI=1S/C17H19N3O4S/c1-24-17(23)15-10(9-21)12-7-19-11(3-2-4-14(19)22)16(15)20(12)8-13-18-5-6-25-13/h2-6,10,12,15-16,21H,7-9H2,1H3/t10-,12-,15+,16+/m1/s1 > AQWQARACBBXMKO-RPCMGYBJSA-N > LSM-11260 $$$$