(2S)-1-[2-[(1-azanylcyclopropyl)carbonylsulfanylmethyl]-3,3,3-tris(fluoranyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-[(1-azanylcyclopropyl)carbonylsulfanylmethyl]-3,3,3-tris(fluoranyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[(1-aminocyclopropanecarbonyl)sulfanylmethyl]-3,3,3-trifluoro-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[[[(1-aminocyclopropyl)-oxomethyl]thio]methyl]-3,3,3-trifluoro-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-[(1-aminocyclopropanecarbonyl)sulfanylmethyl]-3,3,3-trifluoropropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[[(1-aminocyclopropanecarbonyl)thio]methyl]-3,3,3-trifluoro-propanoyl]proline Formula: C13H17F3N2O4S MolecularWeight: 354.34529

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CSC(=O)C2(CC2)N)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(CSC(=O)C2(CC2)N)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H17F3N2O4S/c14-13(15,16)7(6-23-11(22)12(17)3-4-12)9(19)18-5-1-2-8(18)10(20)21/h7-8H,1-6,17H2,(H,20,21)/t7?,8-/m0/s1