(2S,4R)-1-[2-(sulfanylmethyl)butanoyl]-4-thiophen-3-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-[2-(sulfanylmethyl)butanoyl]-4-thiophen-3-yl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-[2-(sulfanylmethyl)butanoyl]-4-(3-thienyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-[2-(mercaptomethyl)-1-oxobutyl]-4-(3-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-[2-(sulfanylmethyl)butanoyl]-4-thiophen-3-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-[2-(mercaptomethyl)butanoyl]-4-(3-thienyl)proline Formula: C14H19NO3S2 MolecularWeight: 313.43556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CS)C(=O)N1CC(CC1C(=O)O)C2=CSC=C2

Isomeric SMILES

CCC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)C2=CSC=C2

InChI

InChI=1S/C14H19NO3S2/c1-2-9(7-19)13(16)15-6-11(5-12(15)14(17)18)10-3-4-20-8-10/h3-4,8-9,11-12,19H,2,5-7H2,1H3,(H,17,18)/t9?,11-,12-/m0/s1