(3R)-5-oxidanylidene-6-(sulfanylmethyl)-1-thia-4-azacyclotridecane-3-carboxylic acid

Systemtic Name: (3R)-5-oxidanylidene-6-(sulfanylmethyl)-1-thia-4-azacyclotridecane-3-carboxylic acid Openeye Name: (3R)-5-oxo-6-(sulfanylmethyl)-1-thia-4-azacyclotridecane-3-carboxylic acid CAS Name: (3R)-6-(mercaptomethyl)-5-oxo-1-thia-4-azacyclotridecane-3-carboxylic acid IUPAC Name: (3R)-5-oxo-6-(sulfanylmethyl)-1-thia-4-azacyclotridecane-3-carboxylic acid Traditional Name: (3R)-5-keto-6-(mercaptomethyl)-1-thia-4-azacyclotridecane-3-carboxylic acid Formula: C13H23NO3S2 MolecularWeight: 305.45662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCCC(C(=O)N[C@@H](CSCCC1)C(=O)O)CS

InChI

InChI=1S/C13H23NO3S2/c15-12-10(8-18)6-4-2-1-3-5-7-19-9-11(14-12)13(16)17/h10-11,18H,1-9H2,(H,14,15)(H,16,17)/t10?,11-/m0/s1