5-[3-(4-cyanophenyl)propylamino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[3-(4-cyanophenyl)propylamino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-[3-(4-cyanophenyl)propylamino]-5-oxo-pentanoic acid CAS Name: 5-[3-(4-cyanophenyl)propylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[3-(4-cyanophenyl)propylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-[3-(4-cyanophenyl)propylamino]-5-keto-valeric acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)NCCCC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)NCCCC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C23H25N3O5/c24-15-18-10-8-17(9-11-18)7-4-14-25-21(27)13-12-20(22(28)29)26-23(30)31-16-19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-14,16H2,(H,25,27)(H,26,30)(H,28,29)