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

Systemtic Name: (phenylmethyl) (2S)-2-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C28H26N4O4 MolecularWeight: 482.53044

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

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