5-[5-(4-cyanophenyl)pent-4-ynylamino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[5-(4-cyanophenyl)pent-4-ynylamino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-[5-(4-cyanophenyl)pent-4-ynylamino]-5-oxo-pentanoic acid CAS Name: 5-[5-(4-cyanophenyl)pent-4-ynylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[5-(4-cyanophenyl)pent-4-ynylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-[5-(4-cyanophenyl)pent-4-ynylamino]-5-keto-valeric acid Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)NCCCC#CC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)NCCCC#CC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C25H25N3O5/c26-17-20-12-10-19(11-13-20)7-5-2-6-16-27-23(29)15-14-22(24(30)31)28-25(32)33-18-21-8-3-1-4-9-21/h1,3-4,8-13,22H,2,6,14-16,18H2,(H,27,29)(H,28,32)(H,30,31)