(phenylmethyl) 2-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: (phenylmethyl) 2-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]benzoate Openeye Name: benzyl 2-[[2-(2-aminopropanoylamino)-3-phenyl-propanoyl]-(1-carbamoyl-3-methyl-butyl)amino]benzoate CAS Name: 2-[(1-amino-4-methyl-1-oxopentan-2-yl)-[2-[(2-amino-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1-amino-4-methyl-1-oxopentan-2-yl)-[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]benzoate Traditional Name: 2-[[2-(alanylamino)-3-phenyl-propanoyl]-(1-carbamoyl-3-methyl-butyl)amino]benzoic acid benzyl ester Formula: C32H38N4O5 MolecularWeight: 558.66792

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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(CC3=CC=CC=C3)NC(=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(CC3=CC=CC=C3)NC(=O)C(C)N

InChI

InChI=1S/C32H38N4O5/c1-21(2)18-28(29(34)37)36(31(39)26(35-30(38)22(3)33)19-23-12-6-4-7-13-23)27-17-11-10-16-25(27)32(40)41-20-24-14-8-5-9-15-24/h4-17,21-22,26,28H,18-20,33H2,1-3H3,(H2,34,37)(H,35,38)