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Chemical structure of Captopril Disulfide

GC43140

Captopril Disulfide

Also known as (2S)-1-[(2S)-3-[[(2S)-3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

Captopril disulfide is a metabolite and symmetrical disulfide form of the angiotensin converting enzyme (ACE) inhibitor captopril

ChemicalCAS64806-05-9MW432.6FormulaC18H28N2O6S2
CAS number
64806-05-9
Molecular weight
432.6
Formula
C18H28N2O6S2
Solubility
DMSO ： 116·67 mg/mL (269·73 mM; Need ultrasonic)
InChIKey
ZWKRXBCJAUKDCI-MQYQWHSLSA-N
Catalogue number
GC43140
Brand
GLPBIO
Computed properties PubChem CID 10002934 · XLogP 1.1 · TPSA 166 Ų · H-bond donors 2
XLogP
1.1
TPSA
166 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
28

SMILES C[C@H](CSSC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(=O)N2CCC[C@H]2C(=O)O

Computed descriptors from PubChem (CID 10002934), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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