Products 2410614-07-0

CAS 2410614-07-0 is the registry number for JF526–Pepstatin A (TFA). Offered by: MedChemExpress. Available pack sizes: Get quote.

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

2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)-2,7-difluoroxanthen-9-yl]-4-[6-[[(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoyl]amino]hexylcarbamoyl]benzoic acid;2,2,2-trifluoroacetate (CAS 2410614-07-0) is a chemical compound with the molecular formula C69H92F9N9O14 and a molecular weight of 1442.5 g/mol. IUPAC name: 2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)-2,7-difluoroxanthen-9-yl]-4-[6-[[(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoyl]amino]hexylcarbamoyl]benzoic acid;2,2,2-trifluoroacetate. InChIKey: JONSFJPZCPEZFP-WKVYEHBGSA-N.

Identity
Molecular formulaC69H92F9N9O14
Molecular weight1442.5 g/mol
IUPAC name2-[3-(3,3-difluoroazetidin-1-ium-1-ylidene)-6-(3,3-difluoroazetidin-1-yl)-2,7-difluoroxanthen-9-yl]-4-[6-[[(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoyl]amino]hexylcarbamoyl]benzoic acid;2,2,2-trifluoroacetate
InChIKeyJONSFJPZCPEZFP-WKVYEHBGSA-N
SMILESC[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCCCCCNC(=O)C1=CC(=C(C=C1)C(=O)O)C2=C3C=C(C(=[N+]4CC(C4)(F)F)C=C3OC5=CC(=C(C=C52)F)N6CC(C6)(F)F)F)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O.C(=O)(C(F)(F)F)[O-]

Computed by PubChem (NCBI)

Synonyms: orb2565920