(2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(thiophen-2-ylmethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(thiophen-2-ylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(2-thienylmethyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-(thiophen-2-ylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(2-methyl-3-sulfanylpropanoyl)-4-(thiophen-2-ylmethyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-(3-mercapto-2-methyl-propanoyl)-4-(2-thenyl)proline Formula: C14H19NO3S2 MolecularWeight: 313.43556

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)CC2=CC=CS2

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)CC2=CC=CS2

InChI

InChI=1S/C14H19NO3S2/c1-9(8-19)13(16)15-7-10(6-12(15)14(17)18)5-11-3-2-4-20-11/h2-4,9-10,12,19H,5-8H2,1H3,(H,17,18)/t9?,10-,12-/m0/s1