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Reference substances

Reference substances

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General information

Inventory

EC number:
261-491-7
EC name:
(6R-trans)-7-amino-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS number:
58909-56-1

No inventory information available

Reference substance information

IUPAC name:
7-amino-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Synonyms
Names:
(6r-trans)-7-amino-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic_acid

CAS information

CAS number:
58909-56-1

Molecular and structural information

Molecular formula:
C12H13N5O5S2
Molecular weight:
371.392
SMILES notation:
CN1NC(=O)C(=O)N=C1SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O
InChl:
InChI=1/C12H13N5O5S2/c1-16-12(14-7(18)8(19)15-16)24-3-4-2-23-10-5(13)9(20)17(10)6(4)11(21)22/h5,10H,2-3,13H2,1H3,(H,15,19)(H,21,22)
Structural formula:
Chemical structure