4-oxidanyl-1-[[5-oxidanylidene-6-(sulfanylmethyl)-1-thia-4-azacyclotridec-3-yl]carbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-oxidanyl-1-[[5-oxidanylidene-6-(sulfanylmethyl)-1-thia-4-azacyclotridec-3-yl]carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-[5-oxo-6-(sulfanylmethyl)-1-thia-4-azacyclotridecane-3-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[[6-(mercaptomethyl)-5-oxo-1-thia-4-azacyclotridec-3-yl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-[5-oxo-6-(sulfanylmethyl)-1-thia-4-azacyclotridecane-3-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-[5-keto-6-(mercaptomethyl)-1-thia-4-azacyclotridecane-3-carbonyl]proline Formula: C18H30N2O5S2 MolecularWeight: 418.5712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(C(=O)NC(CSCCC1)C(=O)N2CC(CC2C(=O)O)O)CS

Isomeric SMILES

C1CCCC(C(=O)NC(CSCCC1)C(=O)N2CC(CC2C(=O)O)O)CS

InChI

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