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

Systemtic Name: 2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-ethoxy-1-(mercaptomethyl)cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-ethoxy-1-(mercaptomethyl)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4S/c1-2-24-15-8-10-19(13-25,11-9-15)18(23)20-16(17(21)22)12-14-6-4-3-5-7-14/h3-7,15-16,25H,2,8-13H2,1H3,(H,20,23)(H,21,22)