null CDK 0225161914 null 33 35 0 0 0 0 0 0 0 0999 V2000 0.6721 -2.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4586 -1.9555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3594 -1.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8616 -1.1933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7539 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 0.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0994 0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7185 0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0871 1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0387 0.5660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5409 1.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3544 -0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 -0.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1131 -1.4532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8275 -1.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -1.4532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -0.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2565 -1.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2565 -2.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -1.4532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6854 -1.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3999 -1.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1144 -1.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1144 -2.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3999 -3.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6854 -2.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6585 -1.4068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8720 -2.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2419 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 -1.0370 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 9 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 8 16 1 0 0 0 0 16 17 1 0 0 0 0 17 2 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 4 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:127217 > 3-cyclohexyl-1-[[(2R,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea > 2 > C25H40N4O4 > 460.610 > 460.30496 > 0 > C[C@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@H]1CN(C)C(=O)NC3CCCCC3)[C@@H](C)CO > InChI=1S/C25H40N4O4/c1-17-14-29(18(2)16-30)24(31)20-12-9-13-21(27(3)4)23(20)33-22(17)15-28(5)25(32)26-19-10-7-6-8-11-19/h9,12-13,17-19,22,30H,6-8,10-11,14-16H2,1-5H3,(H,26,32)/t17-,18-,22-/m0/s1 > LUEDFXFVYWVEMN-SPEDKVCISA-N > LSM-38777 $$$$