Products 126872-95-5

CAS 126872-95-5 appears in our catalog under these names: Biphalin trifluoroacetate salt, Biphalin (TFA). Offered by: Biosynth, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, Get quote.

Biphalin trifluoroacetate salt
Biosynth
  • size: 1mg, 5mg, 10mg
  • Variants: 3
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Biphalin (TFA)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide;2,2,2-trifluoroacetic acid (CAS 126872-95-5) is a chemical compound with the molecular formula C48H57F3N10O12 and a molecular weight of 1023.0 g/mol. IUPAC name: (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide;2,2,2-trifluoroacetic acid. InChIKey: KNKVMVJCRGCBFW-GJLSYRFBSA-N.

Identity
Molecular formulaC48H57F3N10O12
Molecular weight1023.0 g/mol
IUPAC name(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide;2,2,2-trifluoroacetic acid
InChIKeyKNKVMVJCRGCBFW-GJLSYRFBSA-N
SMILESC[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)N.C(=O)(C(F)(F)F)O

Computed by PubChem (NCBI)

Synonyms: Biphalin trifluoroacetate salt, orb2277407, Biphalin trifluoroacetate salt, >=97% (HPLC)