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

Systemtic Name: (phenylmethyl) (2S)-4-methyl-2-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]pentanoate Openeye Name: benzyl (2S)-4-methyl-2-[[4-(m-tolylcarbamoyl)-1H-imidazole-5-carbonyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[[4-[(3-methylanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-methyl-2-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[4-(m-tolylcarbamoyl)-1H-imidazole-5-carbonyl]amino]valeric acid benzyl 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(CC(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N[C@@H](CC(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28N4O4/c1-16(2)12-20(25(32)33-14-18-9-5-4-6-10-18)29-24(31)22-21(26-15-27-22)23(30)28-19-11-7-8-17(3)13-19/h4-11,13,15-16,20H,12,14H2,1-3H3,(H,26,27)(H,28,30)(H,29,31)/t20-/m0/s1