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Chemical structure of Ac-Ala-Leu-Cys-Asp-Asp-Pro-Arg-Val-Asp-Arg-Trp-Tyr-Cys-Gln-Phe-Val-Glu-Gly-NH₂

GA20473

Ac-Ala-Leu-Cys-Asp-Asp-Pro-Arg-Val-Asp-Arg-Trp-Tyr-Cys-Gln-Phe-Val-Glu-Gly-NH₂

Also known as (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,9S,14R,17S,20S,23S,26S,29S,32S,35S)-9-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-4-methylpentanoyl]amino]-23,32-bis(3-carbamimidamidopropyl)-3,6,26-tris(carboxymethyl)-17-[(4-hydroxyphenyl)methyl]-20-(1H-indol-3-ylmethyl)-2,5,8,16,19,22,25,28,31,34-decaoxo-29-propan-2-yl-11,12-dithia-1,4,7,15,18,21,24,27,30,33-decazabicyclo[33.3.0]octatriacontane-14-carbonyl]amino]-5-amino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoic acid

The potent anticoagulant E-76, Acetyl-ALCDDPRVDRWYCQFVEG-amide, is an inhibitor of coagulation factor VIIa· It has been suggested that E-76 works by binding to an exosite on the factor VIIa protease domain, and non-competitively inhibits activation of factor X and amidolytic activity· E-76 has a well defined structure in solution determined by NMR spectroscopy that is similar to the X-ray crystal structure when complexed with factor VIIa and represents a new framework for the development of inhibitors for serine proteases

ChemicalCAS1926163-13-4MW2211.47FormulaC97H139N27O29S2
CAS number
1926163-13-4
Molecular weight
2211.47
Formula
C97H139N27O29S2
Solubility
Soluble in DMSO
InChIKey
IIZLCMCPDOZBBI-YMLAWGCDSA-N
Catalogue number
GA20473
Brand
GLPBIO
Computed properties PubChem CID 131698111 · XLogP -3.9 · TPSA 961 Ų · H-bond donors 31
XLogP
-3.9
TPSA
961 Ų
H-bond donors
31
H-bond acceptors
33
Rotatable bonds
48
Heavy atoms
155

SMILES C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CC(=O)O)CCCNC(=N)N)C(C)C)CC(=O)O)CCCNC(=N)N)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N)NC(=O)C

Computed descriptors from PubChem (CID 131698111), 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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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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