(4-oxidanylpyrrolidin-2-yl)carbonyl 5-oxidanylidene-6-(sulfanylmethyl)-1-thia-4-azacyclotridecane-3-carboxylate

Systemtic Name: (4-oxidanylpyrrolidin-2-yl)carbonyl 5-oxidanylidene-6-(sulfanylmethyl)-1-thia-4-azacyclotridecane-3-carboxylate Openeye Name: (4-hydroxypyrrolidine-2-carbonyl) 5-oxo-6-(sulfanylmethyl)-1-thia-4-azacyclotridecane-3-carboxylate CAS Name: 6-(mercaptomethyl)-5-oxo-1-thia-4-azacyclotridecane-3-carboxylic acid [(4-hydroxy-2-pyrrolidinyl)-oxomethyl] ester IUPAC Name: (4-hydroxypyrrolidine-2-carbonyl) 5-oxo-6-(sulfanylmethyl)-1-thia-4-azacyclotridecane-3-carboxylate Traditional Name: 5-keto-6-(mercaptomethyl)-1-thia-4-azacyclotridecane-3-carboxylic acid (4-hydroxyprolyl) ester Formula: C18H30N2O5S2 MolecularWeight: 418.5712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(C(=O)NC(CSCCC1)C(=O)OC(=O)C2CC(CN2)O)CS

Isomeric SMILES

C1CCCC(C(=O)NC(CSCCC1)C(=O)OC(=O)C2CC(CN2)O)CS

InChI

InChI=1S/C18H30N2O5S2/c21-13-8-14(19-9-13)17(23)25-18(24)15-11-27-7-5-3-1-2-4-6-12(10-26)16(22)20-15/h12-15,19,21,26H,1-11H2,(H,20,22)