(2S)-2-[[oxo-[5-[oxo-(4-phenyl-1-piperazinyl)methyl]-1H-imidazol-4-yl]methyl]amino]-3-phenylpropanoic acid tert-butyl ester

Properties Image MNX_ID MNXM171172 reference chebi:113015 formula C28H33N5O4 global charge 0 mol weight 503.603 InChIKey LEDSKCIDPIEJLN-QFIPXVFZSA-N InChI InChI=1S/C28H33N5O4/c1-28(2,3)37-27(36)22(18-20-10-6-4-7-11-20)31-25(34)23-24(30-19-29-23)26(35)33-16-14-32(15-17-33)21-12-8-5-9-13-21/h4-13,19,22H,14-18H2,1-3H3,(H,29,30)(H,31,34)/t22-/m0/s1 SMILES CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=C(C(=O)N2CCN(C3=CC=CC=C3)CC2)NC=N1 MNX internals InChI (mnx) InChI=1/C28H33N5O4/c1-28(2,3)37-27(36)22(18-20-10-6-4-7-11-20)31-25(34)23-24(30-19-29-23)26(35)33-16-14-32(15-17-33)21-12-8-5-9-13-21/h4-13,19,22H,14-18H2,1-3H3,(H,29,30)(H,31,34)/t22-/m0/s1 SMILES (mnx) [CH3:1][C:28]([CH3:2])([CH3:3])[O:37][C:27]([C@H:22]([CH2:18][C:20]1=[CH:10][CH:6]=[CH:4][CH:7]=[CH:11]1)[N:31]=[C:25]([C:23]1=[C:24]([C:26]([N:33]2[CH2:16][CH2:14][N:32]([C:21]3=[CH:12][CH:8]=[CH:5][CH:9]=[CH:13]3)[CH2:15][CH2:17]2)=[O:35])[NH:30][CH:19]=[N:29]1)[OH:34])=[O:36]

Parent-child relations graph

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