1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea

Properties Image MNX_ID MNXM339085 reference chebi:127506 formula C35H46N4O4 global charge 0 mol weight 586.777 InChIKey GFVUFKNBVACWEX-SQJKUQPUSA-N InChI InChI=1S/C35H46N4O4/c1-24-20-39(25(2)23-40)34(41)19-28-18-29(36-35(42)37-31-15-9-13-27-12-7-8-14-30(27)31)16-17-32(28)43-33(24)22-38(3)21-26-10-5-4-6-11-26/h7-9,12-18,24-26,33,40H,4-6,10-11,19-23H2,1-3H3,(H2,36,37,42)/t24-,25+,33+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)CC2=C(C=CC(NC(=O)NC3=CC=CC4=CC=CC=C43)=C2)O[C@H]1CN(C)CC1CCCCC1 MNX internals InChI (mnx) InChI=1/C35H46N4O4/c1-24-20-39(25(2)23-40)34(41)19-28-18-29(36-35(42)37-31-15-9-13-27-12-7-8-14-30(27)31)16-17-32(28)43-33(24)22-38(3)21-26-10-5-4-6-11-26/h7-9,12-18,24-26,33,40H,4-6,10-11,19-23H2,1-3H3,(H2,36,37,42)/t24-,25+,33+/m1/s1 SMILES (mnx) [CH3:1][C@@H:24]1[CH2:20][N:39]([C@@H:25]([CH3:2])[CH2:23][OH:40])[C:34](=[O:41])[CH2:19][C:28]2=[C:32]([CH:17]=[CH:16][C:29]([NH:36][C:35](=[N:37][C:31]3=[CH:15][CH:9]=[CH:13][C:27]4=[CH:12][CH:7]=[CH:8][CH:14]=[C:30]43)[OH:42])=[CH:18]2)[O:43][C@H:33]1[CH2:22][N:38]([CH3:3])[CH2:21][CH:26]1[CH2:10][CH2:5][CH2:4][CH2:6][CH2:11]1

Parent-child relations graph

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