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

Systemtic Name: 2-[[4-ethoxy-1-(2-oxidanylidene-1-sulfanyl-propyl)cyclohexyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 2-[[4-ethoxy-1-(2-oxo-1-sulfanyl-propyl)cyclohexanecarbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 2-[[[4-ethoxy-1-(1-mercapto-2-oxopropyl)cyclohexyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-[[4-ethoxy-1-(2-oxo-1-sulfanylpropyl)cyclohexanecarbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 2-[[4-ethoxy-1-(2-keto-1-mercapto-propyl)cyclohexanecarbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC(CC1)(C(C(=O)C)S)C(=O)NC(CC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CCOC1CCC(CC1)(C(C(=O)C)S)C(=O)NC(CC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C20H28N2O5S/c1-3-27-15-6-8-20(9-7-15,17(28)13(2)23)19(26)22-16(18(24)25)11-14-5-4-10-21-12-14/h4-5,10,12,15-17,28H,3,6-9,11H2,1-2H3,(H,22,26)(H,24,25)