null CDK 0224162325 null 43 48 0 0 0 0 0 0 0 0999 V2000 5.1447 2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 1.4084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1269 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8413 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8413 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1269 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4124 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8290 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -0.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6883 2.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1517 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9524 0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7594 -0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1719 0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6198 1.1606 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5558 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2703 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2703 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9847 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6992 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7855 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5924 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0049 0.2775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4529 -0.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8254 0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1610 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9814 -0.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3170 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8321 -2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0116 -1.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6760 -1.2298 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 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 6 0 0 0 8 3 1 0 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 2 0 0 0 0 12 13 1 0 0 0 0 13 2 1 0 0 0 0 13 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 18 2 0 0 0 0 18 11 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 23 1 0 0 0 0 6 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 32 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 M END > CHEBI:102911 > 2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide > 2 > C33H38N4O5S > 602.746 > 602.25629 > 0 > CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6 > InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25-,28+,30+/m0/s1 > YIAMBQQGWRAZTQ-ZTPXPFPDSA-N > LSM-14257 $$$$