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

Systemtic Name: 2-[[4-ethoxy-1-(2-oxidanylidene-1-sulfanyl-pentyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-ethoxy-1-(2-oxo-1-sulfanyl-pentyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-ethoxy-1-(1-mercapto-2-oxopentyl)cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-ethoxy-1-(2-oxo-1-sulfanylpentyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-ethoxy-1-(2-keto-1-mercapto-pentyl)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C23H33NO5S MolecularWeight: 435.57682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C1(CCC(CC1)OCC)C(=O)NC(CC2=CC=CC=C2)C(=O)O)S

Isomeric SMILES

CCCC(=O)C(C1(CCC(CC1)OCC)C(=O)NC(CC2=CC=CC=C2)C(=O)O)S

InChI

InChI=1S/C23H33NO5S/c1-3-8-19(25)20(30)23(13-11-17(12-14-23)29-4-2)22(28)24-18(21(26)27)15-16-9-6-5-7-10-16/h5-7,9-10,17-18,20,30H,3-4,8,11-15H2,1-2H3,(H,24,28)(H,26,27)