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

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenyl-4-piperidin-4-yloxy-pyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[6-phenyl-4-(4-piperidyloxy)pyridine-2-carbonyl]amino]pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxo-4-[[oxo-[6-phenyl-4-(4-piperidinyloxy)-2-pyridinyl]methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenyl-4-piperidin-4-yloxypyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-5-keto-4-[[6-phenyl-4-(4-piperidyloxy)picolinoyl]amino]valeric acid Formula: C29H37N5O7 MolecularWeight: 567.63338

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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)OC4CCNCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)OC4CCNCC4

InChI

InChI=1S/C29H37N5O7/c1-2-40-29(39)34-16-14-33(15-17-34)28(38)23(8-9-26(35)36)32-27(37)25-19-22(41-21-10-12-30-13-11-21)18-24(31-25)20-6-4-3-5-7-20/h3-7,18-19,21,23,30H,2,8-17H2,1H3,(H,32,37)(H,35,36)/t23-/m0/s1