Products 1895075-93-0
CAS 1895075-93-0 is the registry number for IR-34. Offered by: MedChemExpress. Available pack sizes: Get quote.
(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.
| Molecular formula | C48H62BrClN4O6 |
|---|---|
| Molecular weight | 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 |
| SMILES | C[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