1-azanyl-3,4,5-tris(fluoranyl)-2-propanoyl-2-(sulfanylmethyl)cyclohexane-1-carboxylic acid

Systemtic Name: 1-azanyl-3,4,5-tris(fluoranyl)-2-propanoyl-2-(sulfanylmethyl)cyclohexane-1-carboxylic acid Openeye Name: 1-amino-3,4,5-trifluoro-2-propanoyl-2-(sulfanylmethyl)cyclohexanecarboxylic acid CAS Name: 1-amino-3,4,5-trifluoro-2-(mercaptomethyl)-2-(1-oxopropyl)-1-cyclohexanecarboxylic acid IUPAC Name: 1-amino-3,4,5-trifluoro-2-propanoyl-2-(sulfanylmethyl)cyclohexane-1-carboxylic acid Traditional Name: 1-amino-3,4,5-trifluoro-2-(mercaptomethyl)-2-propionyl-cyclohexanecarboxylic acid Formula: C11H16F3NO3S MolecularWeight: 299.30985

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C(C(C(CC1(C(=O)O)N)F)F)F)CS

Isomeric SMILES

CCC(=O)C1(C(C(C(CC1(C(=O)O)N)F)F)F)CS

InChI

InChI=1S/C11H16F3NO3S/c1-2-6(16)10(4-19)8(14)7(13)5(12)3-11(10,15)9(17)18/h5,7-8,19H,2-4,15H2,1H3,(H,17,18)