1-[[(2R,3S)-9-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

Properties Image MNX_ID MNXM341339 reference chebi:124181 formula C32H45N5O6 global charge 0 mol weight 595.741 InChIKey SMGQOPDVSHJVMI-KERYWQKISA-N InChI InChI=1S/C32H45N5O6/c1-21-18-37(22(2)20-38)30(39)17-23-16-26(34-31(40)33-24-8-6-5-7-9-24)12-15-28(23)43-29(21)19-36(3)32(41)35-25-10-13-27(42-4)14-11-25/h10-16,21-22,24,29,38H,5-9,17-20H2,1-4H3,(H,35,41)(H2,33,34,40)/t21-,22+,29-/m0/s1 SMILES COC1=CC=C(NC(=O)N(C)C[C@@H]2OC3=C(C=C(NC(=O)NC4CCCCC4)C=C3)CC(=O)N([C@H](C)CO)C[C@@H]2C)C=C1 MNX internals InChI (mnx) InChI=1/C32H45N5O6/c1-21-18-37(22(2)20-38)30(39)17-23-16-26(34-31(40)33-24-8-6-5-7-9-24)12-15-28(23)43-29(21)19-36(3)32(41)35-25-10-13-27(42-4)14-11-25/h10-16,21-22,24,29,38H,5-9,17-20H2,1-4H3,(H,35,41)(H2,33,34,40)/t21-,22+,29-/m0/s1 SMILES (mnx) [CH3:1][C@H:21]1[CH2:18][N:37]([C@H:22]([CH3:2])[CH2:20][OH:38])[C:30](=[O:39])[CH2:17][C:23]2=[C:28]([CH:15]=[CH:12][C:26]([NH:34][C:31](=[N:33][CH:24]3[CH2:8][CH2:6][CH2:5][CH2:7][CH2:9]3)[OH:40])=[CH:16]2)[O:43][C@H:29]1[CH2:19][N:36]([CH3:3])[C:32]([NH:35][C:25]1=[CH:11][CH:14]=[C:27]([O:42][CH3:4])[CH:13]=[CH:10]1)=[O:41]

Parent-child relations graph

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