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

Systemtic Name: (2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-pyridin-3-yl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(3-pyridyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-(3-pyridinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(2-methyl-3-sulfanylpropanoyl)-4-pyridin-3-ylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-(3-mercapto-2-methyl-propanoyl)-4-(3-pyridyl)proline Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)C2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-9(8-20)13(17)16-7-11(5-12(16)14(18)19)10-3-2-4-15-6-10/h2-4,6,9,11-12,20H,5,7-8H2,1H3,(H,18,19)/t9?,11-,12-/m0/s1