3-azanyl-4-oxidanylidene-4-[2-[(3-sulfanylpyridin-2-yl)methylsulfanyl]ethylamino]butanoic acid

Systemtic Name: 3-azanyl-4-oxidanylidene-4-[2-[(3-sulfanylpyridin-2-yl)methylsulfanyl]ethylamino]butanoic acid Openeye Name: 3-amino-4-oxo-4-[2-[(3-sulfanyl-2-pyridyl)methylsulfanyl]ethylamino]butanoic acid CAS Name: 3-amino-4-[2-[(3-mercapto-2-pyridinyl)methylthio]ethylamino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-oxo-4-[2-[(3-sulfanylpyridin-2-yl)methylsulfanyl]ethylamino]butanoic acid Traditional Name: 3-amino-4-keto-4-[2-[(3-mercapto-2-pyridyl)methylthio]ethylamino]butyric acid Formula: C12H17N3O3S2 MolecularWeight: 315.41168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCNC(=O)C(CC(=O)O)N)S

Isomeric SMILES

C1=CC(=C(N=C1)CSCCNC(=O)C(CC(=O)O)N)S

InChI

InChI=1S/C12H17N3O3S2/c13-8(6-11(16)17)12(18)15-4-5-20-7-9-10(19)2-1-3-14-9/h1-3,8,19H,4-7,13H2,(H,15,18)(H,16,17)