1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

Properties Image MNX_ID MNXM339130 reference chebi:124504 formula C30H36N4O4 global charge 0 mol weight 516.642 InChIKey HYMZOYYGWSDRHJ-XJGOYTCSSA-N InChI InChI=1S/C30H36N4O4/c1-21-17-34(22(2)20-35)29(36)26-16-25(32-30(37)31-24-12-8-5-9-13-24)14-15-27(26)38-28(21)19-33(3)18-23-10-6-4-7-11-23/h4-16,21-22,28,35H,17-20H2,1-3H3,(H2,31,32,37)/t21-,22-,28+/m1/s1 SMILES C[C@@H]1CN([C@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3=CC=CC=C3)=C2)O[C@H]1CN(C)CC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C30H36N4O4/c1-21-17-34(22(2)20-35)29(36)26-16-25(32-30(37)31-24-12-8-5-9-13-24)14-15-27(26)38-28(21)19-33(3)18-23-10-6-4-7-11-23/h4-16,21-22,28,35H,17-20H2,1-3H3,(H2,31,32,37)/t21-,22-,28+/m1/s1 SMILES (mnx) [CH3:1][C@@H:21]1[CH2:17][N:34]([C@H:22]([CH3:2])[CH2:20][OH:35])[C:29](=[O:36])[C:26]2=[C:27]([CH:15]=[CH:14][C:25]([NH:32][C:30](=[N:31][C:24]3=[CH:12][CH:8]=[CH:5][CH:9]=[CH:13]3)[OH:37])=[CH:16]2)[O:38][C@H:28]1[CH2:19][N:33]([CH3:3])[CH2:18][C:23]1=[CH:10][CH:6]=[CH:4][CH:7]=[CH:11]1

Parent-child relations graph

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