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

Properties Image MNX_ID MNXM339504 reference chebi:124717 formula C28H34N4O4 global charge 0 mol weight 490.604 InChIKey KOOMWTSRVMNQAA-LJKQEARRSA-N InChI InChI=1S/C28H34N4O4/c1-18-16-32(19(2)17-33)27(34)14-21-13-22(11-12-25(21)36-26(18)15-29-3)30-28(35)31-24-10-6-8-20-7-4-5-9-23(20)24/h4-13,18-19,26,29,33H,14-17H2,1-3H3,(H2,30,31,35)/t18-,19-,26-/m1/s1 SMILES CNC[C@H]1OC2=C(C=C(NC(=O)NC3=CC=CC4=CC=CC=C43)C=C2)CC(=O)N([C@H](C)CO)C[C@H]1C MNX internals InChI (mnx) InChI=1/C28H34N4O4/c1-18-16-32(19(2)17-33)27(34)14-21-13-22(11-12-25(21)36-26(18)15-29-3)30-28(35)31-24-10-6-8-20-7-4-5-9-23(20)24/h4-13,18-19,26,29,33H,14-17H2,1-3H3,(H2,30,31,35)/t18-,19-,26-/m1/s1 SMILES (mnx) [CH3:1][C@@H:18]1[CH2:16][N:32]([C@H:19]([CH3:2])[CH2:17][OH:33])[C:27](=[O:34])[CH2:14][C:21]2=[C:25]([CH:12]=[CH:11][C:22]([NH:30][C:28](=[N:31][C:24]3=[CH:10][CH:6]=[CH:8][C:20]4=[CH:7][CH:4]=[CH:5][CH:9]=[C:23]43)[OH:35])=[CH:13]2)[O:36][C@@H:26]1[CH2:15][NH:29][CH3:3]

Parent-child relations graph

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