2-[[4-methoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[4-methoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[[4-methoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[[1-(mercaptomethyl)-4-methoxycyclohexyl]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[4-methoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-2-phenylacetic acid Traditional Name: 2-[[1-(mercaptomethyl)-4-methoxy-cyclohexanecarbonyl]amino]-2-phenyl-acetic acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S/c1-22-13-7-9-17(11-23,10-8-13)16(21)18-14(15(19)20)12-5-3-2-4-6-12/h2-6,13-14,23H,7-11H2,1H3,(H,18,21)(H,19,20)