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

Systemtic Name: tert-butyl (4S)-5-[4-(2-methylpropanoyl)piperazin-1-yl]-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoate Openeye Name: tert-butyl (4S)-5-[4-(2-methylpropanoyl)piperazin-1-yl]-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoate CAS Name: (4S)-5-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-5-oxo-4-[[oxo-(6-phenyl-2-pyridinyl)methyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-[4-(2-methylpropanoyl)piperazin-1-yl]-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoate Traditional Name: (4S)-5-(4-isobutyrylpiperazino)-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:

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