KI696 isomer (Standard)

cas: 1799974-69-8 — see every product listed under this CAS number, including other names

KI696 isomer (Standard) (CAS 1799974-69-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1799974-69-8
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Structural formula: {0} (CAS {1})

(3R)-3-(7-methoxy-1-methylbenzotriazol-5-yl)-3-[4-methyl-3-[[(4R)-4-methyl-1,1-dioxo-3,4-dihydro-5,1lambda6,2-benzoxathiazepin-2-yl]methyl]phenyl]propanoic acid (CAS 1799974-69-8) is a chemical compound with the molecular formula C28H30N4O6S and a molecular weight of 550.6 g/mol. IUPAC name: (3R)-3-(7-methoxy-1-methylbenzotriazol-5-yl)-3-[4-methyl-3-[[(4R)-4-methyl-1,1-dioxo-3,4-dihydro-5,1lambda6,2-benzoxathiazepin-2-yl]methyl]phenyl]propanoic acid. InChIKey: ZDNGJXBUEQNFBQ-XMSQKQJNSA-N.

Identity
Molecular formulaC28H30N4O6S
Molecular weight550.6 g/mol
IUPAC name(3R)-3-(7-methoxy-1-methylbenzotriazol-5-yl)-3-[4-methyl-3-[[(4R)-4-methyl-1,1-dioxo-3,4-dihydro-5,1lambda6,2-benzoxathiazepin-2-yl]methyl]phenyl]propanoic acid
InChIKeyZDNGJXBUEQNFBQ-XMSQKQJNSA-N
SMILESC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)[C@@H](CC(=O)O)C4=CC5=C(C(=C4)OC)N(N=N5)C)C

Computed by PubChem (NCBI)

Synonyms: orb1709337

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