1-(2-carboxypyrrolidin-1-yl)-1-(2-sulfanylethanoyl)pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-carboxypyrrolidin-1-yl)-1-(2-sulfanylethanoyl)pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-(2-carboxypyrrolidin-1-yl)-1-(2-sulfanylacetyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(2-carboxy-1-pyrrolidinyl)-1-(2-mercapto-1-oxoethyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2-carboxypyrrolidin-1-yl)-1-(2-sulfanylacetyl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-(2-carboxypyrrolidino)-1-(2-mercaptoacetyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C12H19N2O5S+ MolecularWeight: 303.35466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)[N+]2(CCCC2C(=O)O)C(=O)CS)C(=O)O

Isomeric SMILES

C1CC(N(C1)[N+]2(CCCC2C(=O)O)C(=O)CS)C(=O)O

InChI

InChI=1S/C12H18N2O5S/c15-10(7-20)14(6-2-4-9(14)12(18)19)13-5-1-3-8(13)11(16)17/h8-9H,1-7H2,(H2-,16,17,18,19,20)/p+1