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

Systemtic Name: (2S,4S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(3-thienylmethyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-(3-thiophenylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(2-methyl-3-sulfanylpropanoyl)-4-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-(3-mercapto-2-methyl-propanoyl)-4-(3-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=CSC=C2

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)CC2=CSC=C2

InChI

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