(phenylmethyl) 2-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-(2-azanylpropanoyl)amino]benzoate

Systemtic Name: (phenylmethyl) 2-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-(2-azanylpropanoyl)amino]benzoate Openeye Name: benzyl 2-[2-aminopropanoyl-(1-carbamoyl-3-methyl-butyl)amino]benzoate CAS Name: 2-[(1-amino-4-methyl-1-oxopentan-2-yl)-(2-amino-1-oxopropyl)amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1-amino-4-methyl-1-oxopentan-2-yl)-(2-aminopropanoyl)amino]benzoate Traditional Name: 2-[alanyl-(1-carbamoyl-3-methyl-butyl)amino]benzoic acid benzyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)N(C1=CC=CC=C1C(=O)OCC2=CC=CC=C2)C(=O)C(C)N

Isomeric SMILES

CC(C)CC(C(=O)N)N(C1=CC=CC=C1C(=O)OCC2=CC=CC=C2)C(=O)C(C)N

InChI

InChI=1S/C23H29N3O4/c1-15(2)13-20(21(25)27)26(22(28)16(3)24)19-12-8-7-11-18(19)23(29)30-14-17-9-5-4-6-10-17/h4-12,15-16,20H,13-14,24H2,1-3H3,(H2,25,27)