1-[(2R,3S)-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-(4-methoxyphenyl)urea

Properties Image MNX_ID MNXM339342 reference chebi:127747 formula C37H42N4O5 global charge 0 mol weight 622.766 InChIKey BRPKOIUAXBFUAW-UXVOWUFOSA-N InChI InChI=1S/C37H42N4O5/c1-25-21-41(26(2)24-42)36(43)33-20-31(39-37(44)38-30-14-17-32(45-4)18-15-30)16-19-34(33)46-35(25)23-40(3)22-27-10-12-29(13-11-27)28-8-6-5-7-9-28/h5-20,25-26,35,42H,21-24H2,1-4H3,(H2,38,39,44)/t25-,26-,35-/m0/s1 SMILES COC1=CC=C(NC(=O)NC2=CC3=C(C=C2)O[C@@H](CN(C)CC2=CC=C(C4=CC=CC=C4)C=C2)[C@@H](C)CN([C@@H](C)CO)C3=O)C=C1 MNX internals InChI (mnx) InChI=1/C37H42N4O5/c1-25-21-41(26(2)24-42)36(43)33-20-31(39-37(44)38-30-14-17-32(45-4)18-15-30)16-19-34(33)46-35(25)23-40(3)22-27-10-12-29(13-11-27)28-8-6-5-7-9-28/h5-20,25-26,35,42H,21-24H2,1-4H3,(H2,38,39,44)/t25-,26-,35-/m0/s1 SMILES (mnx) [CH3:1][C@H:25]1[CH2:21][N:41]([C@@H:26]([CH3:2])[CH2:24][OH:42])[C:36](=[O:43])[C:33]2=[C:34]([CH:19]=[CH:16][C:31]([N:39]=[C:37]([NH:38][C:30]3=[CH:15][CH:18]=[C:32]([O:45][CH3:4])[CH:17]=[CH:14]3)[OH:44])=[CH:20]2)[O:46][C@H:35]1[CH2:23][N:40]([CH3:3])[CH2:22][C:27]1=[CH:11][CH:13]=[C:29]([C:28]2=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]2)[CH:12]=[CH:10]1

Parent-child relations graph

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