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Chemical structure of Acetyl-Hirudin (53-65) (sulfated)

GA20539

Acetyl-Hirudin (53-65) (sulfated)

Also known as (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-acetamido-3-carboxypropanoyl]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-sulfooxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoic acid

Hirugen, the C-terminal fragment of hirudin (residues 53-65) binds to and thereby protects thrombin against cleavage by trypsin, and to a lesser degree prevents the cleavage of thrombin by pancreatic elastase

ChemicalCAS348603-19-0MW1705.73FormulaC72H100N14O32S
CAS number
348603-19-0
Molecular weight
1705.73
Formula
C72H100N14O32S
Solubility
Soluble in DMSO
InChIKey
DEPIXTAAZOCKCV-REWSTJKWSA-N
Catalogue number
GA20539
Brand
GLPBIO
Computed properties PubChem CID 131698142 · XLogP -3.7 · TPSA 746 Ų · H-bond donors 21
XLogP
-3.7
TPSA
746 Ų
H-bond donors
21
H-bond acceptors
32
Rotatable bonds
54
Heavy atoms
119

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)OS(=O)(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)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)O)NC(=O)C

Computed descriptors from PubChem (CID 131698142), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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