(2S)-1-[3-(1H-imidazol-5-yl)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[3-(1H-imidazol-5-yl)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[3-(1H-imidazol-5-yl)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[3-(1H-imidazol-5-yl)-3-mercapto-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[3-(1H-imidazol-5-yl)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(1H-imidazol-5-yl)-3-mercapto-2-methyl-propanoyl]proline Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CN=CN1)S)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C(C1=CN=CN1)S)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C12H17N3O3S/c1-7(10(19)8-5-13-6-14-8)11(16)15-4-2-3-9(15)12(17)18/h5-7,9-10,19H,2-4H2,1H3,(H,13,14)(H,17,18)/t7?,9-,10?/m0/s1