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

Systemtic Name: tert-butyl (4S)-5-oxidanylidene-4-[(6-phenylpyridin-2-yl)carbonylamino]-5-piperazin-1-yl-pentanoate Openeye Name: tert-butyl (4S)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]-5-piperazin-1-yl-pentanoate CAS Name: (4S)-5-oxo-4-[[oxo-(6-phenyl-2-pyridinyl)methyl]amino]-5-(1-piperazinyl)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]-5-piperazin-1-ylpentanoate Traditional Name: (4S)-5-keto-4-[(6-phenylpicolinoyl)amino]-5-piperazino-valeric acid tert-butyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)N1CCNCC1)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)N1CCNCC1)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C25H32N4O4/c1-25(2,3)33-22(30)13-12-21(24(32)29-16-14-26-15-17-29)28-23(31)20-11-7-10-19(27-20)18-8-5-4-6-9-18/h4-11,21,26H,12-17H2,1-3H3,(H,28,31)/t21-/m0/s1