(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenyl-4-piperidin-1-yl-pyridin-2-yl)carbonylamino]pentanoic acid

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenyl-4-piperidin-1-yl-pyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[6-phenyl-4-(1-piperidyl)pyridine-2-carbonyl]amino]pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxo-4-[[oxo-[6-phenyl-4-(1-piperidinyl)-2-pyridinyl]methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenyl-4-piperidin-1-ylpyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-5-keto-4-[(6-phenyl-4-piperidino-picolinoyl)amino]valeric acid Formula: C29H37N5O6 MolecularWeight: 551.63398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C29H37N5O6/c1-2-40-29(39)34-17-15-33(16-18-34)28(38)23(11-12-26(35)36)31-27(37)25-20-22(32-13-7-4-8-14-32)19-24(30-25)21-9-5-3-6-10-21/h3,5-6,9-10,19-20,23H,2,4,7-8,11-18H2,1H3,(H,31,37)(H,35,36)/t23-/m0/s1