2-[[4-ethoxy-1-(2-oxidanylidene-2-pyridin-2-yl-1-sulfanyl-ethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-ethoxy-1-(2-oxidanylidene-2-pyridin-2-yl-1-sulfanyl-ethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-ethoxy-1-[2-oxo-2-(2-pyridyl)-1-sulfanyl-ethyl]cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-ethoxy-1-[1-mercapto-2-oxo-2-(2-pyridinyl)ethyl]cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-ethoxy-1-(2-oxo-2-pyridin-2-yl-1-sulfanylethyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-ethoxy-1-[2-keto-1-mercapto-2-(2-pyridyl)ethyl]cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC(CC1)(C(C(=O)C2=CC=CC=N2)S)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC1CCC(CC1)(C(C(=O)C2=CC=CC=N2)S)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H30N2O5S/c1-2-32-18-11-13-25(14-12-18,22(33)21(28)19-10-6-7-15-26-19)24(31)27-20(23(29)30)16-17-8-4-3-5-9-17/h3-10,15,18,20,22,33H,2,11-14,16H2,1H3,(H,27,31)(H,29,30)