Chemical Compound

Bivalirudin TFA

CAS Registry Number 1191386-55-6
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Bivalirudin TFA chemical structure
Primary Record

Bivalirudin TFA

In stock
5,054 g
Purity
98.5 %
CAS
1191386-55-6

Compound Identifiers & Properties

CAS
1191386-55-6
PubChem CID
87326698
SMILES
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](CC6=CC=CC=C6)N.C(=O)(C(F)(F)F)O
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O.O=C(O)C(F)(F)F

Names & Synonyms

  • Bivalirudin TFA
  • Angiox
  • Bivalirudin?
  • Angiomax;
  • Hirulog;
  • Bivalirudin Trifluoroacetate
  • Bivalirudin TFA salt
  • Bivalirudin Trifluoroacetate/
  • SCHEMBL2034151
  • TF0B600
  • 3494AH
  • ABP000553
  • C98H138N24O33.C2HF3O2
  • AKOS030485988
  • 1191386-55-6
  • 128270-60-0
  • S)-4-carboxy-1-(((S)-4-carboxy-1-(((S)-1-(((S)-1-carbox
  • ymethyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-2,5,8,11,14
  • (15S,21S,24S,27S,30S)-15-(2-amino-2-oxoethyl)-1-((S)-1-((S)-2-((S)-1-((R)-2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxamido)-5-guanidinopentanoyl)pyrrolidin-2-yl)-24-benzyl-30-(((2S,3S)-1-((S)-2-(((
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[2-[[2-[[2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
  • ,17,20,23,26,29-decaazatritriacontan-33-oic acid compound with 2,2,2-trifluoroacetic acid (1:1)
  • 1191386-50-1
  • y-3-methylbutyl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxopentan-2-yl)carbamoyl)-27-(2-carboxyethyl)-21-(carbox