(phenylmethyl) 6-azanyl-4-(2-methylpropylcarbamoylamino)-6-oxidanylidene-4-(4-phenylphenyl)hexanoate

Systemtic Name: (phenylmethyl) 6-azanyl-4-(2-methylpropylcarbamoylamino)-6-oxidanylidene-4-(4-phenylphenyl)hexanoate Openeye Name: benzyl 6-amino-4-(isobutylcarbamoylamino)-6-oxo-4-(4-phenylphenyl)hexanoate CAS Name: 6-amino-4-[[(2-methylpropylamino)-oxomethyl]amino]-6-oxo-4-(4-phenylphenyl)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-4-(2-methylpropylcarbamoylamino)-6-oxo-4-(4-phenylphenyl)hexanoate Traditional Name: 6-amino-4-(isobutylcarbamoylamino)-6-keto-4-(4-phenylphenyl)hexanoic acid benzyl ester Formula: C30H35N3O4 MolecularWeight: 501.6166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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