IR-34

cas: 1895075-93-0 — see every product listed under this CAS number, including other names

IR-34 (CAS 1895075-93-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

(2S)-2-[6-[2-[2-[3-[2-[1-[6-[[(1S)-1-carboxyethyl]amino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanoylamino]propanoic acid bromide (CAS 1895075-93-0) is a chemical compound with the molecular formula C48H62BrClN4O6 and a molecular weight of 906.4 g/mol. IUPAC name: (2S)-2-[6-[2-[2-[3-[2-[1-[6-[[(1S)-1-carboxyethyl]amino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanoylamino]propanoic acid bromide. InChIKey: WEBBDXYPCUMOOU-MLGYITDRSA-N.

Identity
Molecular formulaC48H62BrClN4O6
Molecular weight906.4 g/mol
IUPAC name(2S)-2-[6-[2-[2-[3-[2-[1-[6-[[(1S)-1-carboxyethyl]amino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanoylamino]propanoic acid bromide
InChIKeyWEBBDXYPCUMOOU-MLGYITDRSA-N
SMILESC[C@@H](C(=O)O)NC(=O)CCCCCN1C2=CC=CC=C2C(C1=CC=C3CCCC(=C3Cl)C=CC4=[N+](C5=CC=CC=C5C4(C)C)CCCCCC(=O)N[C@@H](C)C(=O)O)(C)C.[Br-]

Computed by PubChem (NCBI)

Synonyms: orb2565948

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