(phenylmethyl) (3S)-3-azanyl-4-[(2-cyclohexylcarbonylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-3-azanyl-4-[(2-cyclohexylcarbonylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-3-amino-4-[2-(cyclohexanecarbonyl)anilino]-4-oxo-butanoate CAS Name: (3S)-3-amino-4-[2-[cyclohexyl(oxo)methyl]anilino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-amino-4-[2-(cyclohexanecarbonyl)anilino]-4-oxobutanoate Traditional Name: (3S)-3-amino-4-[2-(cyclohexanecarbonyl)anilino]-4-keto-butyric acid benzyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C2=CC=CC=C2NC(=O)C(CC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(CC1)C(=O)C2=CC=CC=C2NC(=O)[C@H](CC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C24H28N2O4/c25-20(15-22(27)30-16-17-9-3-1-4-10-17)24(29)26-21-14-8-7-13-19(21)23(28)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,20H,2,5-6,11-12,15-16,25H2,(H,26,29)/t20-/m0/s1