null CDK 0224162333 null 32 34 0 0 0 0 0 0 0 0999 V2000 0.5686 -2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 -1.4353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4629 -1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 -0.6731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 0.1449 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6753 0.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1731 0.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6151 0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1173 1.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8016 1.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0164 2.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5186 1.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3038 2.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0695 3.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 3.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4039 3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1285 2.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1173 -0.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 -0.9331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7241 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4385 -0.9331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4385 -0.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -2.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8675 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -1.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -0.8866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3453 -0.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9755 -1.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7724 -1.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 14 1 0 0 0 0 9 19 1 0 0 0 0 19 20 1 0 0 0 0 20 2 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 4 29 1 0 0 0 0 29 30 1 1 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:109927 > N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide > 2 > C23H34N2O6S > 466.593 > 466.21376 > 0 > C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)C(=O)COC)[C@H](C)CO > InChI=1S/C23H34N2O6S/c1-16-12-25(17(2)14-26)32(28,29)22-10-9-19(18-7-5-6-8-18)11-20(22)31-21(16)13-24(3)23(27)15-30-4/h7,9-11,16-17,21,26H,5-6,8,12-15H2,1-4H3/t16-,17+,21+/m0/s1 > GOVSZGQIERTMRS-CSODHUTKSA-N > LSM-21354 $$$$