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Chemical structure of Antipain (hydrochloride)

GC40032

Antipain (hydrochloride)

Also known as 2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methylbutanoyl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid;dihydrochloride

Antipain (hydrochloride) is a protease inhibitor isolated from Actinomycetes

ChemicalCAS37682-72-7MW677.6FormulaC27H44N10O6 • 2HCl
CAS number
37682-72-7
Molecular weight
677.6
Formula
C27H44N10O6 • 2HCl
Solubility
H2O ： 50 mg/mL (73·79 mM; Need ultrasonic)
InChIKey
GXQPAKIVOCLCHD-BXLPLHKWSA-N
Catalogue number
GC40032
Brand
GLPBIO
Computed properties PubChem CID 5493486 · TPSA 283 Ų · H-bond donors 11 · H-bond acceptors 9
TPSA
283 Ų
H-bond donors
11
H-bond acceptors
9
Rotatable bonds
19
Heavy atoms
45

SMILES CC(C)[C@@H](C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(CCCN=C(N)N)C=O.Cl.Cl

Computed descriptors from PubChem (CID 5493486), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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