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

Systemtic Name: 2-[[4-ethoxy-1-(2-oxidanylidene-2-phenyl-1-sulfanyl-ethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-ethoxy-1-(2-oxo-2-phenyl-1-sulfanyl-ethyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-ethoxy-1-(1-mercapto-2-oxo-2-phenylethyl)cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-ethoxy-1-(2-oxo-2-phenyl-1-sulfanylethyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-ethoxy-1-(2-keto-1-mercapto-2-phenyl-ethyl)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C26H31NO5S MolecularWeight: 469.59304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO5S/c1-2-32-20-13-15-26(16-14-20,23(33)22(28)19-11-7-4-8-12-19)25(31)27-21(24(29)30)17-18-9-5-3-6-10-18/h3-12,20-21,23,33H,2,13-17H2,1H3,(H,27,31)(H,29,30)