(E)-2-[(4-methylpentanoylamino)-phenyl-amino]-5-phenyl-2-[(phenylmethyl)carbamoyl]pent-4-enoic acid

Systemtic Name: (E)-2-[(4-methylpentanoylamino)-phenyl-amino]-5-phenyl-2-[(phenylmethyl)carbamoyl]pent-4-enoic acid Openeye Name: (E)-2-(benzylcarbamoyl)-2-(N-(4-methylpentanoylamino)anilino)-5-phenyl-pent-4-enoic acid CAS Name: (E)-2-(N-[(4-methyl-1-oxopentyl)amino]anilino)-2-[oxo-[(phenylmethyl)amino]methyl]-5-phenyl-4-pentenoic acid IUPAC Name: (E)-2-(benzylcarbamoyl)-2-(N-(4-methylpentanoylamino)anilino)-5-phenylpent-4-enoic acid Traditional Name: (E)-2-(benzylcarbamoyl)-2-(N-(4-methylpentanoylamino)anilino)-5-phenyl-pent-4-enoic acid Formula: C31H35N3O4 MolecularWeight: 513.6273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NN(C1=CC=CC=C1)C(CC=CC2=CC=CC=C2)(C(=O)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CCC(=O)NN(C1=CC=CC=C1)C(C/C=C/C2=CC=CC=C2)(C(=O)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C31H35N3O4/c1-24(2)20-21-28(35)33-34(27-18-10-5-11-19-27)31(30(37)38,22-12-17-25-13-6-3-7-14-25)29(36)32-23-26-15-8-4-9-16-26/h3-19,24H,20-23H2,1-2H3,(H,32,36)(H,33,35)(H,37,38)/b17-12+