3-azanyl-2-(carboxymethylcarbamoyl)-6-oxidanylidene-2-[(2-oxidanyl-4-oxidanylidene-cyclopentyl)sulfanylmethyl]piperidine-3-carboxylic acid

Systemtic Name: 3-azanyl-2-(carboxymethylcarbamoyl)-6-oxidanylidene-2-[(2-oxidanyl-4-oxidanylidene-cyclopentyl)sulfanylmethyl]piperidine-3-carboxylic acid Openeye Name: 3-amino-2-(carboxymethylcarbamoyl)-2-[(2-hydroxy-4-oxo-cyclopentyl)sulfanylmethyl]-6-oxo-piperidine-3-carboxylic acid CAS Name: 3-amino-2-[(carboxymethylamino)-oxomethyl]-2-[[(2-hydroxy-4-oxocyclopentyl)thio]methyl]-6-oxo-3-piperidinecarboxylic acid IUPAC Name: 3-amino-2-(carboxymethylcarbamoyl)-2-[(2-hydroxy-4-oxocyclopentyl)sulfanylmethyl]-6-oxopiperidine-3-carboxylic acid Traditional Name: 3-amino-2-(carboxymethylcarbamoyl)-2-[[(2-hydroxy-4-keto-cyclopentyl)thio]methyl]-6-keto-nipecotic acid Formula: C15H21N3O8S MolecularWeight: 403.40754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1=O)(CSC2CC(=O)CC2O)C(=O)NCC(=O)O)(C(=O)O)N

Isomeric SMILES

C1CC(C(NC1=O)(CSC2CC(=O)CC2O)C(=O)NCC(=O)O)(C(=O)O)N

InChI

InChI=1S/C15H21N3O8S/c16-14(13(25)26)2-1-10(21)18-15(14,12(24)17-5-11(22)23)6-27-9-4-7(19)3-8(9)20/h8-9,20H,1-6,16H2,(H,17,24)(H,18,21)(H,22,23)(H,25,26)