(2S)-4-oxidanyl-4-pyridin-3-yl-1-(3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-4-oxidanyl-4-pyridin-3-yl-1-(3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-hydroxy-4-(3-pyridyl)-1-(3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-hydroxy-1-(3-mercapto-1-oxobutyl)-4-(3-pyridinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-hydroxy-4-pyridin-3-yl-1-(3-sulfanylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-hydroxy-1-(3-mercaptobutanoyl)-4-(3-pyridyl)proline Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC(CC1C(=O)O)(C2=CN=CC=C2)O)S

Isomeric SMILES

CC(CC(=O)N1CC(C[C@H]1C(=O)O)(C2=CN=CC=C2)O)S

InChI

InChI=1S/C14H18N2O4S/c1-9(21)5-12(17)16-8-14(20,6-11(16)13(18)19)10-3-2-4-15-7-10/h2-4,7,9,11,20-21H,5-6,8H2,1H3,(H,18,19)/t9?,11-,14?/m0/s1