null CDK 0225161859 null 34 36 0 0 0 0 0 0 0 0999 V2000 -1.5805 -0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5805 -1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1515 -1.8029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1515 -0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 -2.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 -1.8029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1697 -0.9850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6720 -0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4899 -0.2228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1444 -0.7250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4601 0.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9624 -0.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2521 -1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7499 -2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9319 -2.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 -2.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8835 -3.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3857 -2.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 -1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 -3.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0172 -3.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 -4.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8307 -5.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0127 -5.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -4.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 -6.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9643 -6.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7034 0.5741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5003 0.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3336 1.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 -0.7715 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 8 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 11 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 9 34 1 1 0 0 0 M END > CHEBI:114082 > N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide > 2 > C25H34N2O6S > 490.614 > 490.21376 > 0 > CCC(=O)N(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=C(C=C3)OC)[C@@H](C)CO)C > InChI=1S/C25H34N2O6S/c1-6-25(29)26(4)15-23-17(2)14-27(18(3)16-28)34(30,31)24-12-9-20(13-22(24)33-23)19-7-10-21(32-5)11-8-19/h7-13,17-18,23,28H,6,14-16H2,1-5H3/t17-,18-,23-/m0/s1 > JVFXTLNLNPGAHH-BSRJHKFKSA-N > LSM-25514 $$$$