5-azanyl-5-oxidanylidene-2-[3-[(2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoylamino]pentanoic acid

Systemtic Name: 5-azanyl-5-oxidanylidene-2-[3-[(2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoylamino]pentanoic acid Openeye Name: 5-amino-5-oxo-2-[3-[(2-thioxo-1H-pyridin-3-yl)sulfanyl]propanoylamino]pentanoic acid CAS Name: 5-amino-5-oxo-2-[[1-oxo-3-[(2-sulfanylidene-1H-pyridin-3-yl)thio]propyl]amino]pentanoic acid IUPAC Name: 5-amino-5-oxo-2-[3-[(2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoylamino]pentanoic acid Traditional Name: 5-amino-5-keto-2-[3-[(2-thioxo-1H-pyridin-3-yl)thio]propanoylamino]valeric acid Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=S)C(=C1)SCCC(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CNC(=S)C(=C1)SCCC(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C13H17N3O4S2/c14-10(17)4-3-8(13(19)20)16-11(18)5-7-22-9-2-1-6-15-12(9)21/h1-2,6,8H,3-5,7H2,(H2,14,17)(H,15,21)(H,16,18)(H,19,20)