tert-butyl (2S)-3-phenyl-2-[[5-[(phenylmethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-3-phenyl-2-[[5-[(phenylmethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-[[5-(benzylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[5-(benzylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-(benzylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H28N4O4/c1-25(2,3)33-24(32)19(14-17-10-6-4-7-11-17)29-23(31)21-20(27-16-28-21)22(30)26-15-18-12-8-5-9-13-18/h4-13,16,19H,14-15H2,1-3H3,(H,26,30)(H,27,28)(H,29,31)/t19-/m0/s1