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

Systemtic Name: tert-butyl 5-[5-(4-cyanophenyl)pent-4-ynylamino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-5-[5-(4-cyanophenyl)pent-4-ynylamino]-5-oxo-pentanoate CAS Name: 5-[5-(4-cyanophenyl)pent-4-ynylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[5-(4-cyanophenyl)pent-4-ynylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-5-[5-(4-cyanophenyl)pent-4-ynylamino]-5-keto-valeric acid tert-butyl ester Formula: C29H33N3O5 MolecularWeight: 503.58942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)NCCCC#CC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC(=O)NCCCC#CC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C29H33N3O5/c1-29(2,3)37-27(34)25(32-28(35)36-21-24-11-6-4-7-12-24)17-18-26(33)31-19-9-5-8-10-22-13-15-23(20-30)16-14-22/h4,6-7,11-16,25H,5,9,17-19,21H2,1-3H3,(H,31,33)(H,32,35)