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

Systemtic Name: 4-phenyl-2-[[1-(sulfanylmethyl)cyclohexyl]carbonylamino]butanoic acid Openeye Name: 4-phenyl-2-[[1-(sulfanylmethyl)cyclohexanecarbonyl]amino]butanoic acid CAS Name: 2-[[[1-(mercaptomethyl)cyclohexyl]-oxomethyl]amino]-4-phenylbutanoic acid IUPAC Name: 4-phenyl-2-[[1-(sulfanylmethyl)cyclohexanecarbonyl]amino]butanoic acid Traditional Name: 2-[[1-(mercaptomethyl)cyclohexanecarbonyl]amino]-4-phenyl-butyric acid Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CS)C(=O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CS)C(=O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H25NO3S/c20-16(21)15(10-9-14-7-3-1-4-8-14)19-17(22)18(13-23)11-5-2-6-12-18/h1,3-4,7-8,15,23H,2,5-6,9-13H2,(H,19,22)(H,20,21)