tert-butyl (4S)-5-(4-ethanoylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoate

Systemtic Name: tert-butyl (4S)-5-(4-ethanoylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoate Openeye Name: tert-butyl (4S)-5-(4-acetylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoate CAS Name: (4S)-5-(4-acetyl-1-piperazinyl)-5-oxo-4-[[oxo-(6-phenyl-2-pyridinyl)methyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-(4-acetylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoate Traditional Name: (4S)-5-(4-acetylpiperazino)-5-keto-4-[(6-phenylpicolinoyl)amino]valeric acid tert-butyl ester Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C27H34N4O5/c1-19(32)30-15-17-31(18-16-30)26(35)23(13-14-24(33)36-27(2,3)4)29-25(34)22-12-8-11-21(28-22)20-9-6-5-7-10-20/h5-12,23H,13-18H2,1-4H3,(H,29,34)/t23-/m0/s1