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

Properties Image MNX_ID MNXM341475 reference chebi:124625 formula C29H41N5O6 global charge 0 mol weight 555.676 InChIKey QVUYTBQNGWGTGS-OUDXUNEISA-N InChI InChI=1S/C29H41N5O6/c1-18(2)30-29(38)33(5)16-26-19(3)15-34(20(4)17-35)27(36)14-21-13-23(9-12-25(21)40-26)32-28(37)31-22-7-10-24(39-6)11-8-22/h7-13,18-20,26,35H,14-17H2,1-6H3,(H,30,38)(H2,31,32,37)/t19-,20+,26+/m0/s1 SMILES COC1=CC=C(NC(=O)NC2=CC3=C(C=C2)O[C@H](CN(C)C(=O)NC(C)C)[C@@H](C)CN([C@H](C)CO)C(=O)C3)C=C1 MNX internals InChI (mnx) InChI=1/C29H41N5O6/c1-18(2)30-29(38)33(5)16-26-19(3)15-34(20(4)17-35)27(36)14-21-13-23(9-12-25(21)40-26)32-28(37)31-22-7-10-24(39-6)11-8-22/h7-13,18-20,26,35H,14-17H2,1-6H3,(H,30,38)(H2,31,32,37)/t19-,20+,26+/m0/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[N:30]=[C:29]([N:33]([CH3:5])[CH2:16][C@@H:26]1[C@@H:19]([CH3:3])[CH2:15][N:34]([C@H:20]([CH3:4])[CH2:17][OH:35])[C:27](=[O:36])[CH2:14][C:21]2=[C:25]([CH:12]=[CH:9][C:23]([NH:32][C:28]([NH:31][C:22]3=[CH:8][CH:11]=[C:24]([O:39][CH3:6])[CH:10]=[CH:7]3)=[O:37])=[CH:13]2)[O:40]1)[OH:38]

Parent-child relations graph

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