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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H28N4O4/c1-16-9-8-12-18(13-16)28-22(30)20-21(27-15-26-20)23(31)29-19(24(32)33-25(2,3)4)14-17-10-6-5-7-11-17/h5-13,15,19H,14H2,1-4H3,(H,26,27)(H,28,30)(H,29,31)/t19-/m0/s1