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

Systemtic Name: 2-[[4-ethoxy-1-(3-morpholin-4-yl-2-oxidanylidene-1-sulfanyl-propyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-ethoxy-1-(3-morpholino-2-oxo-1-sulfanyl-propyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-ethoxy-1-[1-mercapto-3-(4-morpholinyl)-2-oxopropyl]cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-ethoxy-1-(3-morpholin-4-yl-2-oxo-1-sulfanylpropyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-ethoxy-1-(2-keto-1-mercapto-3-morpholino-propyl)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C25H36N2O6S MolecularWeight: 492.62814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC(CC1)(C(C(=O)CN2CCOCC2)S)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC1CCC(CC1)(C(C(=O)CN2CCOCC2)S)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H36N2O6S/c1-2-33-19-8-10-25(11-9-19,22(34)21(28)17-27-12-14-32-15-13-27)24(31)26-20(23(29)30)16-18-6-4-3-5-7-18/h3-7,19-20,22,34H,2,8-17H2,1H3,(H,26,31)(H,29,30)