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

Systemtic Name: 3-phenyl-2-[[1-(sulfanylmethyl)cyclohexyl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[1-(sulfanylmethyl)cyclohexanecarbonyl]amino]propanoic acid CAS Name: 2-[[[1-(mercaptomethyl)cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[1-(sulfanylmethyl)cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 2-[[1-(mercaptomethyl)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H23NO3S/c19-15(20)14(11-13-7-3-1-4-8-13)18-16(21)17(12-22)9-5-2-6-10-17/h1,3-4,7-8,14,22H,2,5-6,9-12H2,(H,18,21)(H,19,20)