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

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(6-phenyl-4-phenylmethoxy-pyridin-2-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-4-[(4-benzyloxy-6-phenyl-pyridine-2-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxo-4-[[oxo-(6-phenyl-4-phenylmethoxy-2-pyridinyl)methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenyl-4-phenylmethoxypyridine-2-carbonyl)amino]pentanoic acid Traditional Name: (4S)-4-[(4-benzoxy-6-phenyl-picolinoyl)amino]-5-(4-carbethoxypiperazino)-5-keto-valeric acid Formula: C31H34N4O7 MolecularWeight: 574.62426

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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)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=CC(=N2)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H34N4O7/c1-2-41-31(40)35-17-15-34(16-18-35)30(39)25(13-14-28(36)37)33-29(38)27-20-24(42-21-22-9-5-3-6-10-22)19-26(32-27)23-11-7-4-8-12-23/h3-12,19-20,25H,2,13-18,21H2,1H3,(H,33,38)(H,36,37)/t25-/m0/s1