null CDK 0225161913 null 41 44 0 0 0 0 0 0 0 0999 V2000 5.6736 2.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 2.0344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9114 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 0.6260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1874 -0.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 0.7969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -2.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 2.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 2.6178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6438 3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1416 4.0345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3236 3.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4573 4.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2752 4.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 5.4512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2708 6.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 6.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3755 7.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1377 7.2284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 6.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7003 5.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0173 6.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -0.1362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1416 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 -0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 -1.0061 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 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 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 17 1 0 0 0 0 8 23 1 0 0 0 0 23 24 1 0 0 0 0 24 2 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 31 1 0 0 0 0 35 36 1 0 0 0 0 32 37 1 0 0 0 0 4 38 1 0 0 0 0 38 39 1 1 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 M END > CHEBI:126447 > N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide > 2 > C30H37N5O6 > 563.646 > 563.27438 > 0 > C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CN(C)C(=O)NC4=C(ON=C4C)C)[C@H](C)CO > InChI=1S/C30H37N5O6/c1-18-15-35(19(2)17-36)29(38)24-14-23(31-27(37)13-22-9-7-6-8-10-22)11-12-25(24)40-26(18)16-34(5)30(39)32-28-20(3)33-41-21(28)4/h6-12,14,18-19,26,36H,13,15-17H2,1-5H3,(H,31,37)(H,32,39)/t18-,19+,26-/m0/s1 > KBNILDCQMNAARZ-ANSQWYIGSA-N > LSM-38011 $$$$