Products 749247-49-2

CAS 749247-49-2 is the registry number for TMR Biocytin. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

5-[5-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-aminohexanoyl]amino]pentylcarbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate (CAS 749247-49-2) is a chemical compound with the molecular formula C46H60N8O7S and a molecular weight of 869.1 g/mol. IUPAC name: 5-[5-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-aminohexanoyl]amino]pentylcarbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate. InChIKey: RRJNRPHRYXQIAB-VSZNSILHSA-N.

Identity
Molecular formulaC46H60N8O7S
Molecular weight869.1 g/mol
IUPAC name5-[5-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-aminohexanoyl]amino]pentylcarbamoyl]-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
InChIKeyRRJNRPHRYXQIAB-VSZNSILHSA-N
SMILESCN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCCCCNC(=O)[C@H](CCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6)N)C(=O)[O-]

Computed by PubChem (NCBI)