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Chemical structure of Bivalirudin TFA

GC35528

Bivalirudin TFA

Also known as (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

Bivalirudin TFA is a synthetic 20 residue peptide which reversibly inhibits thrombin

ChemicalCAS1191386-55-6MW2295.31FormulaC100H138DF3N24O35
CAS number
1191386-55-6
Molecular weight
2295.31
Formula
C100H138DF3N24O35
Solubility
Water： 100 mg/mL (43·57 mM); DMSO： ≥ 31 mg/mL (13·51 mM)
InChIKey
ZXZYMGVTLNJMKP-GRDNZSJBSA-N
Catalogue number
GC35528
Brand
GLPBIO
Computed properties PubChem CID 87326698 · TPSA 939 Ų · H-bond donors 29 · H-bond acceptors 40
TPSA
939 Ų
H-bond donors
29
H-bond acceptors
40
Rotatable bonds
67
Heavy atoms
162

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

Computed descriptors from PubChem (CID 87326698), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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