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

Systemtic Name: tert-butyl (4S)-5-[4-(2-methylpropyl)piperazin-1-yl]-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoate Openeye Name: tert-butyl (4S)-5-(4-isobutylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoate CAS Name: (4S)-5-[4-(2-methylpropyl)-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-methylpropyl)piperazin-1-yl]-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoate Traditional Name: (4S)-5-(4-isobutylpiperazino)-5-keto-4-[(6-phenylpicolinoyl)amino]valeric acid tert-butyl ester Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C29H40N4O4/c1-21(2)20-32-16-18-33(19-17-32)28(36)25(14-15-26(34)37-29(3,4)5)31-27(35)24-13-9-12-23(30-24)22-10-7-6-8-11-22/h6-13,21,25H,14-20H2,1-5H3,(H,31,35)/t25-/m0/s1