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

Systemtic Name: tert-butyl (4S)-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]-5-(4-propylpiperazin-1-yl)pentanoate Openeye Name: tert-butyl (4S)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]-5-(4-propylpiperazin-1-yl)pentanoate CAS Name: (4S)-5-oxo-4-[[oxo-(6-phenyl-2-pyridinyl)methyl]amino]-5-(4-propyl-1-piperazinyl)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]-5-(4-propylpiperazin-1-yl)pentanoate Traditional Name: (4S)-5-keto-4-[(6-phenylpicolinoyl)amino]-5-(4-propylpiperazino)valeric acid tert-butyl ester Formula: C28H38N4O4 MolecularWeight: 494.62572

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCN1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C28H38N4O4/c1-5-16-31-17-19-32(20-18-31)27(35)24(14-15-25(33)36-28(2,3)4)30-26(34)23-13-9-12-22(29-23)21-10-7-6-8-11-21/h6-13,24H,5,14-20H2,1-4H3,(H,30,34)/t24-/m0/s1