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

Systemtic Name: 2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 2-[[[4-ethoxy-1-(mercaptomethyl)cyclohexyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 2-[[4-ethoxy-1-(mercaptomethyl)cyclohexanecarbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-2-24-14-5-7-18(12-25,8-6-14)17(23)20-15(16(21)22)10-13-4-3-9-19-11-13/h3-4,9,11,14-15,25H,2,5-8,10,12H2,1H3,(H,20,23)(H,21,22)