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

Systemtic Name: 2-[[4-ethoxy-1-(2-oxidanylidene-1-sulfanyl-propyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-ethoxy-1-(2-oxo-1-sulfanyl-propyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-ethoxy-1-(1-mercapto-2-oxopropyl)cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-ethoxy-1-(2-oxo-1-sulfanylpropyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-ethoxy-1-(2-keto-1-mercapto-propyl)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5S/c1-3-27-16-9-11-21(12-10-16,18(28)14(2)23)20(26)22-17(19(24)25)13-15-7-5-4-6-8-15/h4-8,16-18,28H,3,9-13H2,1-2H3,(H,22,26)(H,24,25)