null CDK 0224162330 null 35 37 0 0 0 0 0 0 0 0999 V2000 -4.5004 -2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 -2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 -1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 -1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 0.0281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 0.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 0.1990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4927 -0.3844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4927 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 -1.7928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7686 -2.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -2.5550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7228 -3.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 -2.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3587 -3.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2549 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 1.6157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9049 1.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 2.3779 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8007 2.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2763 2.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 3.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9232 3.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 4.4709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2212 4.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1564 3.3327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 5.2731 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 0 0 0 0 4 5 3 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 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 6 1 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 8 1 0 0 0 0 17 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 14 23 1 6 0 0 0 13 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 30 1 0 0 0 0 32 35 1 0 0 0 0 M END > CHEBI:106325 > N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide > 2 > C24H33N5O5S > 503.616 > 503.22024 > 0 > CCCC#CC1=CC2=C(N=C1)O[C@H]([C@@H](CN(C2=O)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CN(C=N3)C > InChI=1S/C24H33N5O5S/c1-6-7-8-9-19-10-20-23(25-11-19)34-21(17(2)12-29(24(20)31)18(3)15-30)13-28(5)35(32,33)22-14-27(4)16-26-22/h10-11,14,16-18,21,30H,6-7,12-13,15H2,1-5H3/t17-,18-,21+/m1/s1 > YVOLCZAPMPCUFP-OPYAIIAOSA-N > LSM-17685 $$$$