1-cyclohexyl-3-[(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]urea

Properties Image MNX_ID MNXM344561 reference chebi:130546 formula C28H44N4O4 global charge 0 mol weight 500.684 InChIKey FKANUCVYFMQPCL-GOHWNWGWSA-N InChI InChI=1S/C28H44N4O4/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/h11-13,19-21,23,26,33H,4-10,14-18H2,1-3H3,(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)NC3CCCCC3)=C2)O[C@H]1CN(C)CC1CC1 MNX internals InChI (mnx) InChI=1/C28H44N4O4/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/h11-13,19-21,23,26,33H,4-10,14-18H2,1-3H3,(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][CH:23]3[CH2:7][CH2:5][CH2:4][CH2:6][CH2:8]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