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Home/Compounds/API/Hirudin
C66H93N13O25
1468.5 g/mol
API

(2S)-5-amino-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-1-((2S,3S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-((2-aminoacetyl)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-methylpentanoyl)amino)-5-oxopentanoic acid

CAS113274-56-9
Category
API
Compound Class
Peptide
Primary Use
Pharmaceutical Raw Material

This compound is a peptide-based thrombin inhibitor used as an anticoagulant pharmaceutical raw material. Its complex, highly polar structure includes multiple amino acid residues and a high number of amide and acid functional groups.

Pharmaceutical raw material for manufacturing anticoagulant agentsBiochemical research compound for thrombin inhibition studies

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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CAS 113274-56-9

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Identifiers
IUPAC Name

(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)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-methylpentanoyl]amino]-5-oxopentanoic acid

InChIKey

ZNEKMMIWGPUTGR-SQJOKQRMSA-N

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)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)CN

Synonyms (5)
  • Hirudin (54-65)
  • Hirudin (54-65) (desulfated)