3-(4-methoxyphenyl)-2-[[4-methoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-methoxyphenyl)-2-[[4-methoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]propanoic acid Openeye Name: 3-(4-methoxyphenyl)-2-[[4-methoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]propanoic acid CAS Name: 2-[[[1-(mercaptomethyl)-4-methoxycyclohexyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-(4-methoxyphenyl)-2-[[4-methoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 2-[[1-(mercaptomethyl)-4-methoxy-cyclohexanecarbonyl]amino]-3-(4-methoxyphenyl)propionic acid Formula: C19H27NO5S MolecularWeight: 381.48638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)(CS)C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

COC1CCC(CC1)(CS)C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C19H27NO5S/c1-24-14-5-3-13(4-6-14)11-16(17(21)22)20-18(23)19(12-26)9-7-15(25-2)8-10-19/h3-6,15-16,26H,7-12H2,1-2H3,(H,20,23)(H,21,22)