1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea

Properties Image MNX_ID MNXM339544 reference chebi:127735 formula C33H42N4O4 global charge 0 mol weight 558.723 InChIKey KRCYYDXJFSFYMC-ULPIOCOXSA-N InChI InChI=1S/C33H42N4O4/c1-22(2)34-33(40)35-28-15-16-30-29(17-28)32(39)37(24(4)21-38)18-23(3)31(41-30)20-36(5)19-25-11-13-27(14-12-25)26-9-7-6-8-10-26/h6-17,22-24,31,38H,18-21H2,1-5H3,(H2,34,35,40)/t23-,24+,31-/m1/s1 SMILES CC(C)NC(=O)NC1=CC2=C(C=C1)O[C@H](CN(C)CC1=CC=C(C3=CC=CC=C3)C=C1)[C@H](C)CN([C@@H](C)CO)C2=O MNX internals InChI (mnx) InChI=1/C33H42N4O4/c1-22(2)34-33(40)35-28-15-16-30-29(17-28)32(39)37(24(4)21-38)18-23(3)31(41-30)20-36(5)19-25-11-13-27(14-12-25)26-9-7-6-8-10-26/h6-17,22-24,31,38H,18-21H2,1-5H3,(H2,34,35,40)/t23-,24+,31-/m1/s1 SMILES (mnx) [CH3:1][CH:22]([CH3:2])[N:34]=[C:33]([NH:35][C:28]1=[CH:17][C:29]2=[C:30]([CH:16]=[CH:15]1)[O:41][C@H:31]([CH2:20][N:36]([CH3:5])[CH2:19][C:25]1=[CH:12][CH:14]=[C:27]([C:26]3=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]3)[CH:13]=[CH:11]1)[C@H:23]([CH3:3])[CH2:18][N:37]([C@@H:24]([CH3:4])[CH2:21][OH:38])[C:32]2=[O:39])[OH:40]

Parent-child relations graph

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