1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

Properties Image MNX_ID MNXM339136 reference chebi:93122 formula C30H36N4O7S global charge 0 mol weight 596.706 InChIKey FVBMANNWVHBCBY-BUEREQSYSA-N InChI InChI=1S/C30H36N4O7S/c1-20-17-34(21(2)19-35)29(36)25-11-8-12-26(32-30(37)31-22-9-6-5-7-10-22)28(25)41-27(20)18-33(3)42(38,39)24-15-13-23(40-4)14-16-24/h5-16,20-21,27,35H,17-19H2,1-4H3,(H2,31,32,37)/t20-,21+,27+/m1/s1 SMILES COC1=CC=C(S(=O)(=O)N(C)C[C@@H]2OC3=C(C=CC=C3NC(=O)NC3=CC=CC=C3)C(=O)N([C@@H](C)CO)C[C@H]2C)C=C1 MNX internals InChI (mnx) InChI=1/C30H36N4O7S/c1-20-17-34(21(2)19-35)29(36)25-11-8-12-26(32-30(37)31-22-9-6-5-7-10-22)28(25)41-27(20)18-33(3)42(38,39)24-15-13-23(40-4)14-16-24/h5-16,20-21,27,35H,17-19H2,1-4H3,(H2,31,32,37)/t20-,21+,27+/m1/s1 SMILES (mnx) [CH3:1][C@@H:20]1[CH2:17][N:34]([C@@H:21]([CH3:2])[CH2:19][OH:35])[C:29](=[O:36])[C:25]2=[C:28]([C:26]([NH:32][C:30](=[N:31][C:22]3=[CH:9][CH:6]=[CH:5][CH:7]=[CH:10]3)[OH:37])=[CH:12][CH:8]=[CH:11]2)[O:41][C@H:27]1[CH2:18][N:33]([CH3:3])[S:42]([C:24]1=[CH:16][CH:14]=[C:23]([O:40][CH3:4])[CH:13]=[CH:15]1)(=[O:38])=[O:39]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0