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

Systemtic Name: 2-[[4-ethoxy-1-(2-oxidanylidene-1-sulfanyl-propyl)cyclohexyl]carbonylamino]-3-(4-methoxyphenyl)propanoic acid Openeye Name: 2-[[4-ethoxy-1-(2-oxo-1-sulfanyl-propyl)cyclohexanecarbonyl]amino]-3-(4-methoxyphenyl)propanoic acid CAS Name: 2-[[[4-ethoxy-1-(1-mercapto-2-oxopropyl)cyclohexyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 2-[[4-ethoxy-1-(2-oxo-1-sulfanylpropyl)cyclohexanecarbonyl]amino]-3-(4-methoxyphenyl)propanoic acid Traditional Name: 2-[[4-ethoxy-1-(2-keto-1-mercapto-propyl)cyclohexanecarbonyl]amino]-3-(4-methoxyphenyl)propionic acid Formula: C22H31NO6S MolecularWeight: 437.54964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO6S/c1-4-29-17-9-11-22(12-10-17,19(30)14(2)24)21(27)23-18(20(25)26)13-15-5-7-16(28-3)8-6-15/h5-8,17-19,30H,4,9-13H2,1-3H3,(H,23,27)(H,25,26)