(phenylmethyl) 3-[[1-azanyl-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]carbamoyl-(2-methylpropyl)amino]propanoate

Systemtic Name: (phenylmethyl) 3-[[1-azanyl-1-oxidanylidene-3-(4-phenylphenyl)propan-2-yl]carbamoyl-(2-methylpropyl)amino]propanoate Openeye Name: benzyl 3-[[2-amino-2-oxo-1-[(4-phenylphenyl)methyl]ethyl]carbamoyl-isobutyl-amino]propanoate CAS Name: 3-[[[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-oxomethyl]-(2-methylpropyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamoyl-(2-methylpropyl)amino]propanoate Traditional Name: 3-[[2-amino-2-keto-1-(4-phenylbenzyl)ethyl]carbamoyl-isobutyl-amino]propionic acid benzyl ester Formula: C30H35N3O4 MolecularWeight: 501.6166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(=O)OCC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)CN(CCC(=O)OCC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C30H35N3O4/c1-22(2)20-33(18-17-28(34)37-21-24-9-5-3-6-10-24)30(36)32-27(29(31)35)19-23-13-15-26(16-14-23)25-11-7-4-8-12-25/h3-16,22,27H,17-21H2,1-2H3,(H2,31,35)(H,32,36)