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Chemical structure of Antistasin-Related Peptide

GA20773

Antistasin-Related Peptide

Also known as (2S)-1-[(4R,7S,10S,13S,16R)-16-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-13-[3-(diaminomethylideneamino)propyl]-7-(1H-imidazol-5-ylmethyl)-6,9,12,15-tetraoxo-10-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carbonyl]pyrrolidine-2-carboxylic acid

Antistasin, isolated from the Mexican leech Hementeria officinalis, is a 119 amino acid protein which is a selective and potent inhibitor of coagulation factor Xa· (D-Arg³²)-Antistasin (32-38) is the shortest peptide displaying anticoagulant activity in human plasma· This peptide might be a model structure for the development of low molecular weight anticoagulants

ChemicalCAS161561-46-2MW868.05FormulaC34H57N15O8S2
CAS number
161561-46-2
Molecular weight
868.05
Formula
C34H57N15O8S2
Solubility
Soluble in DMSO
InChIKey
JEPNEKIFOVEQBB-UOJKWVRNSA-N
Catalogue number
GA20773
Brand
GLPBIO
Computed properties PubChem CID 131698039 · XLogP -6.2 · TPSA 437 Ų · H-bond donors 12
XLogP
-6.2
TPSA
437 Ų
H-bond donors
12
H-bond acceptors
14
Rotatable bonds
15
Heavy atoms
59

SMILES CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)C(=O)N2CCC[C@H]2C(=O)O)CC3=CN=CN3

Computed descriptors from PubChem (CID 131698039), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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