1-[[(2S,3S)-9-(dimethylamino)-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 MNXM341535 reference chebi:129029 formula C27H38N4O5 global charge 0 mol weight 498.624 InChIKey ATOUFFMQMQIITO-OSWQYVSFSA-N InChI InChI=1S/C27H38N4O5/c1-18-15-31(19(2)17-32)26(33)14-20-13-22(29(3)4)9-12-24(20)36-25(18)16-30(5)27(34)28-21-7-10-23(35-6)11-8-21/h7-13,18-19,25,32H,14-17H2,1-6H3,(H,28,34)/t18-,19+,25+/m0/s1 SMILES COC1=CC=C(NC(=O)N(C)C[C@H]2OC3=C(C=C(N(C)C)C=C3)CC(=O)N([C@H](C)CO)C[C@@H]2C)C=C1 MNX internals InChI (mnx) InChI=1/C27H38N4O5/c1-18-15-31(19(2)17-32)26(33)14-20-13-22(29(3)4)9-12-24(20)36-25(18)16-30(5)27(34)28-21-7-10-23(35-6)11-8-21/h7-13,18-19,25,32H,14-17H2,1-6H3,(H,28,34)/t18-,19+,25+/m0/s1 SMILES (mnx) [CH3:1][C@H:18]1[CH2:15][N:31]([C@H:19]([CH3:2])[CH2:17][OH:32])[C:26](=[O:33])[CH2:14][C:20]2=[C:24]([CH:12]=[CH:9][C:22]([N:29]([CH3:3])[CH3:4])=[CH:13]2)[O:36][C@@H:25]1[CH2:16][N:30]([CH3:5])[C:27]([NH:28][C:21]1=[CH:8][CH:11]=[C:23]([O:35][CH3:6])[CH:10]=[CH:7]1)=[O:34]

Parent-child relations graph

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