BO 1341

cas: 119068-46-1 — see every product listed under this CAS number, including other names

BO 1341 (CAS 119068-46-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas119068-46-1
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Structural formula: {0} (CAS {1})

(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(6,7-dihydroxyisoquinolin-2-ium-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS 119068-46-1) is a chemical compound with the molecular formula C26H24N6O9S2 and a molecular weight of 628.6 g/mol. IUPAC name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(6,7-dihydroxyisoquinolin-2-ium-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate. InChIKey: XMOLQYFYIRKUAY-PLEZTBHSSA-N.

Identity
Molecular formulaC26H24N6O9S2
Molecular weight628.6 g/mol
IUPAC name(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(6,7-dihydroxyisoquinolin-2-ium-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChIKeyXMOLQYFYIRKUAY-PLEZTBHSSA-N
SMILESCC(C)(C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC5=CC(=C(C=C5C=C4)O)O)C(=O)[O-]

Computed by PubChem (NCBI)

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