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

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenyl-4-propoxy-pyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenyl-4-propoxy-pyridine-2-carbonyl)amino]pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxo-4-[[oxo-(6-phenyl-4-propoxy-2-pyridinyl)methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenyl-4-propoxypyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-5-keto-4-[(6-phenyl-4-propoxy-picolinoyl)amino]valeric acid Formula: C27H34N4O7 MolecularWeight: 526.58146

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=NC(=C1)C(=O)NC(CCC(=O)O)C(=O)N2CCN(CC2)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC(=NC(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C27H34N4O7/c1-3-16-38-20-17-22(19-8-6-5-7-9-19)28-23(18-20)25(34)29-21(10-11-24(32)33)26(35)30-12-14-31(15-13-30)27(36)37-4-2/h5-9,17-18,21H,3-4,10-16H2,1-2H3,(H,29,34)(H,32,33)/t21-/m0/s1