[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl] 2-(aminocarbonylamino)-4-methyl-pentanoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl] 2-(aminocarbonylamino)-4-methyl-pentanoate Openeye Name: [2-oxo-2-(4-phenylanilino)ethyl] 4-methyl-2-ureido-pentanoate CAS Name: 2-(carbamoylamino)-4-methylpentanoic acid [2-oxo-2-(4-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylanilino)ethyl] 2-(carbamoylamino)-4-methylpentanoate Traditional Name: 4-methyl-2-ureido-valeric acid [2-keto-2-(4-phenylanilino)ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C21H25N3O4/c1-14(2)12-18(24-21(22)27)20(26)28-13-19(25)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H,23,25)(H3,22,24,27)