(2S)-2-[[[4-[(3-methylanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester

Properties Image MNX_ID MNXM171162 reference chebi:119839 formula C28H26N4O4 global charge 0 mol weight 482.54 InChIKey JHRQHLQSBFCUSQ-QHCPKHFHSA-N InChI InChI=1S/C28H26N4O4/c1-19-9-8-14-22(15-19)31-26(33)24-25(30-18-29-24)27(34)32-23(16-20-10-4-2-5-11-20)28(35)36-17-21-12-6-3-7-13-21/h2-15,18,23H,16-17H2,1H3,(H,29,30)(H,31,33)(H,32,34)/t23-/m0/s1 SMILES CC1=CC(NC(=O)C2=C(C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC3=CC=CC=C3)NC=N2)=CC=C1 MNX internals InChI (mnx) InChI=1/C28H26N4O4/c1-19-9-8-14-22(15-19)31-26(33)24-25(30-18-29-24)27(34)32-23(16-20-10-4-2-5-11-20)28(35)36-17-21-12-6-3-7-13-21/h2-15,18,23H,16-17H2,1H3,(H,29,30)(H,31,33)(H,32,34)/t23-/m0/s1 SMILES (mnx) [CH3:1][C:19]1=[CH:15][C:22]([N:31]=[C:26]([C:24]2=[C:25]([C:27](=[N:32][C@@H:23]([CH2:16][C:20]3=[CH:10][CH:4]=[CH:2][CH:5]=[CH:11]3)[C:28](=[O:35])[O:36][CH2:17][C:21]3=[CH:12][CH:6]=[CH:3][CH:7]=[CH:13]3)[OH:34])[NH:30][CH:18]=[N:29]2)[OH:33])=[CH:14][CH:8]=[CH:9]1

Parent-child relations graph

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