tert-butyl 5-[4-(4-cyanophenyl)butylamino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: tert-butyl 5-[4-(4-cyanophenyl)butylamino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-5-[4-(4-cyanophenyl)butylamino]-5-oxo-pentanoate CAS Name: 5-[4-(4-cyanophenyl)butylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[4-(4-cyanophenyl)butylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-5-[4-(4-cyanophenyl)butylamino]-5-keto-valeric acid tert-butyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)NCCCCC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC(=O)NCCCCC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H35N3O5/c1-28(2,3)36-26(33)24(31-27(34)35-20-23-10-5-4-6-11-23)16-17-25(32)30-18-8-7-9-21-12-14-22(19-29)15-13-21/h4-6,10-15,24H,7-9,16-18,20H2,1-3H3,(H,30,32)(H,31,34)