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

Properties Image MNX_ID MNXM339095 reference chebi:128792 formula C28H38N4O4 global charge 0 mol weight 494.636 InChIKey SDJYLABYIVPCPJ-GOHWNWGWSA-N InChI InChI=1S/C28H38N4O4/c1-19-15-32(20(2)18-33)27(34)14-22-13-24(30-28(35)29-23-7-5-4-6-8-23)11-12-25(22)36-26(19)17-31(3)16-21-9-10-21/h4-8,11-13,19-21,26,33H,9-10,14-18H2,1-3H3,(H2,29,30,35)/t19-,20+,26+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)CC2=C(C=CC(NC(=O)NC3=CC=CC=C3)=C2)O[C@H]1CN(C)CC1CC1 MNX internals InChI (mnx) InChI=1/C28H38N4O4/c1-19-15-32(20(2)18-33)27(34)14-22-13-24(30-28(35)29-23-7-5-4-6-8-23)11-12-25(22)36-26(19)17-31(3)16-21-9-10-21/h4-8,11-13,19-21,26,33H,9-10,14-18H2,1-3H3,(H2,29,30,35)/t19-,20+,26+/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:15][N:32]([C@@H:20]([CH3:2])[CH2:18][OH:33])[C:27](=[O:34])[CH2:14][C:22]2=[C:25]([CH:12]=[CH:11][C:24]([NH:30][C:28](=[N:29][C:23]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)[OH:35])=[CH:13]2)[O:36][C@H:26]1[CH2:17][N:31]([CH3:3])[CH2:16][CH:21]1[CH2:9][CH2:10]1

Parent-child relations graph

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