2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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