1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM339458 reference chebi:124665 formula C35H38N4O6 global charge 0 mol weight 610.711 InChIKey MDVGURPVGABTFV-SOTYFPCESA-N InChI InChI=1S/C35H38N4O6/c1-22-17-39(23(2)20-40)34(41)28-16-26(36-35(42)37-29-10-6-8-25-7-4-5-9-27(25)29)12-14-30(28)45-33(22)19-38(3)18-24-11-13-31-32(15-24)44-21-43-31/h4-16,22-23,33,40H,17-21H2,1-3H3,(H2,36,37,42)/t22-,23+,33-/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(C=CC(NC(=O)NC3=CC=CC4=CC=CC=C43)=C2)O[C@@H]1CN(C)CC1=CC2=C(C=C1)OCO2 MNX internals InChI (mnx) InChI=1/C35H38N4O6/c1-22-17-39(23(2)20-40)34(41)28-16-26(36-35(42)37-29-10-6-8-25-7-4-5-9-27(25)29)12-14-30(28)45-33(22)19-38(3)18-24-11-13-31-32(15-24)44-21-43-31/h4-16,22-23,33,40H,17-21H2,1-3H3,(H2,36,37,42)/t22-,23+,33-/m1/s1 SMILES (mnx) [CH3:1][C@@H:22]1[CH2:17][N:39]([C@@H:23]([CH3:2])[CH2:20][OH:40])[C:34](=[O:41])[C:28]2=[C:30]([CH:14]=[CH:12][C:26]([N:36]=[C:35]([NH:37][C:29]3=[CH:10][CH:6]=[CH:8][C:25]4=[CH:7][CH:4]=[CH:5][CH:9]=[C:27]43)[OH:42])=[CH:16]2)[O:45][C@@H:33]1[CH2:19][N:38]([CH3:3])[CH2:18][C:24]1=[CH:15][C:32]2=[C:31]([CH:13]=[CH:11]1)[O:43][CH2:21][O:44]2

Parent-child relations graph

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