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

Systemtic Name: tert-butyl (4S)-5-(4-butanoylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoate Openeye Name: tert-butyl (4S)-5-(4-butanoylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoate CAS Name: (4S)-5-oxo-5-[4-(1-oxobutyl)-1-piperazinyl]-4-[[oxo-(6-phenyl-2-pyridinyl)methyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-(4-butanoylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoate Traditional Name: (4S)-5-(4-butyrylpiperazino)-5-keto-4-[(6-phenylpicolinoyl)amino]valeric acid tert-butyl ester Formula: C29H38N4O5 MolecularWeight: 522.63582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=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/C29H38N4O5/c1-5-10-25(34)32-17-19-33(20-18-32)28(37)24(15-16-26(35)38-29(2,3)4)31-27(36)23-14-9-13-22(30-23)21-11-7-6-8-12-21/h6-9,11-14,24H,5,10,15-20H2,1-4H3,(H,31,36)/t24-/m0/s1