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

Systemtic Name: tert-butyl (4S)-5-oxidanylidene-5-(4-pentylpiperazin-1-yl)-4-[(6-phenylpyridin-2-yl)carbonylamino]pentanoate Openeye Name: tert-butyl (4S)-5-oxo-5-(4-pentylpiperazin-1-yl)-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoate CAS Name: (4S)-5-oxo-4-[[oxo-(6-phenyl-2-pyridinyl)methyl]amino]-5-(4-pentyl-1-piperazinyl)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-5-oxo-5-(4-pentylpiperazin-1-yl)-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoate Traditional Name: (4S)-5-(4-amylpiperazino)-5-keto-4-[(6-phenylpicolinoyl)amino]valeric acid tert-butyl ester Formula: C30H42N4O4 MolecularWeight: 522.67888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCN1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C2=CC=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C30H42N4O4/c1-5-6-10-18-33-19-21-34(22-20-33)29(37)26(16-17-27(35)38-30(2,3)4)32-28(36)25-15-11-14-24(31-25)23-12-8-7-9-13-23/h7-9,11-15,26H,5-6,10,16-22H2,1-4H3,(H,32,36)/t26-/m0/s1