null CDK 0225161911 null 28 29 0 0 0 0 0 0 0 0999 V2000 -2.4593 6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8048 6.3489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0903 6.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2934 6.5479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 5.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 5.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0945 5.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8089 4.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8089 3.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0945 3.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 3.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 4.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3345 3.3865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0489 3.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0489 4.6240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7634 3.3865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4779 3.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1924 3.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4779 4.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6058 4.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0183 5.5520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8363 5.4443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3385 6.0989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1564 5.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2088 7.2024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0267 7.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1069 7.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3953 8.6191 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 1 0 0 0 0 17 19 1 0 0 0 0 8 20 1 0 0 0 0 20 21 1 0 0 0 0 21 2 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 4 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > CHEBI:124803 > 1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea > 2 > C20H32N4O4 > 392.493 > 392.24236 > 0 > C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H]1CNC)[C@@H](C)CO > InChI=1S/C20H32N4O4/c1-12(2)22-20(27)23-15-6-7-17-16(8-15)19(26)24(14(4)11-25)10-13(3)18(28-17)9-21-5/h6-8,12-14,18,21,25H,9-11H2,1-5H3,(H2,22,23,27)/t13-,14-,18+/m0/s1 > NKEDBFYWGSEEHO-SUNYJGFJSA-N > LSM-36245 $$$$