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

Properties Image MNX_ID MNXM339091 reference chebi:130612 formula C25H40N4O4 global charge 0 mol weight 460.619 InChIKey UCKREMIJSDYNRS-PNCHPQGNSA-N InChI InChI=1S/C25H40N4O4/c1-16(2)26-25(32)27-21-8-9-22-20(10-21)11-24(31)29(18(4)15-30)12-17(3)23(33-22)14-28(5)13-19-6-7-19/h8-10,16-19,23,30H,6-7,11-15H2,1-5H3,(H2,26,27,32)/t17-,18-,23+/m1/s1 SMILES CC(C)NC(=O)NC1=CC2=C(C=C1)O[C@@H](CN(C)CC1CC1)[C@H](C)CN([C@H](C)CO)C(=O)C2 MNX internals InChI (mnx) InChI=1/C25H40N4O4/c1-16(2)26-25(32)27-21-8-9-22-20(10-21)11-24(31)29(18(4)15-30)12-17(3)23(33-22)14-28(5)13-19-6-7-19/h8-10,16-19,23,30H,6-7,11-15H2,1-5H3,(H2,26,27,32)/t17-,18-,23+/m1/s1 SMILES (mnx) [CH3:1][CH:16]([CH3:2])[N:26]=[C:25]([NH:27][C:21]1=[CH:10][C:20]2=[C:22]([CH:9]=[CH:8]1)[O:33][C@@H:23]([CH2:14][N:28]([CH3:5])[CH2:13][CH:19]1[CH2:6][CH2:7]1)[C@H:17]([CH3:3])[CH2:12][N:29]([C@H:18]([CH3:4])[CH2:15][OH:30])[C:24](=[O:31])[CH2:11]2)[OH:32]

Parent-child relations graph

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