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

Properties Image MNX_ID MNXM339151 reference chebi:108704 formula C30H36N4O6S global charge 0 mol weight 580.707 InChIKey KABIQBXSOPPDGJ-VHSZZVNMSA-N InChI InChI=1S/C30H36N4O6S/c1-20-13-15-24(16-14-20)41(38,39)33(4)18-27-21(2)17-34(22(3)19-35)29(36)25-11-8-12-26(28(25)40-27)32-30(37)31-23-9-6-5-7-10-23/h5-16,21-22,27,35H,17-19H2,1-4H3,(H2,31,32,37)/t21-,22+,27+/m1/s1 SMILES CC1=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/C30H36N4O6S/c1-20-13-15-24(16-14-20)41(38,39)33(4)18-27-21(2)17-34(22(3)19-35)29(36)25-11-8-12-26(28(25)40-27)32-30(37)31-23-9-6-5-7-10-23/h5-16,21-22,27,35H,17-19H2,1-4H3,(H2,31,32,37)/t21-,22+,27+/m1/s1 SMILES (mnx) [CH3:1][C:20]1=[CH:14][CH:16]=[C:24]([S:41]([N:33]([CH3:4])[CH2:18][C@H:27]2[C@H:21]([CH3:2])[CH2:17][N:34]([C@@H:22]([CH3:3])[CH2:19][OH:35])[C:29](=[O:36])[C:25]3=[C:28]([C:26]([NH:32][C:30](=[N:31][C:23]4=[CH:9][CH:6]=[CH:5][CH:7]=[CH:10]4)[OH:37])=[CH:12][CH:8]=[CH:11]3)[O:40]2)(=[O:38])=[O:39])[CH:15]=[CH:13]1

Parent-child relations graph

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