tert-butyl 5-[3-(4-cyanophenyl)propylamino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: tert-butyl 5-[3-(4-cyanophenyl)propylamino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-5-[3-(4-cyanophenyl)propylamino]-5-oxo-pentanoate CAS Name: 5-[3-(4-cyanophenyl)propylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[3-(4-cyanophenyl)propylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-5-[3-(4-cyanophenyl)propylamino]-5-keto-valeric acid tert-butyl ester Formula: C27H33N3O5 MolecularWeight: 479.56802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)NCCCC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC(=O)NCCCC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H33N3O5/c1-27(2,3)35-25(32)23(30-26(33)34-19-22-8-5-4-6-9-22)15-16-24(31)29-17-7-10-20-11-13-21(18-28)14-12-20/h4-6,8-9,11-14,23H,7,10,15-17,19H2,1-3H3,(H,29,31)(H,30,33)