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Captopril disulfide 10mg

CAT: 0628-A13521-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A13521-10Size:10 mg
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CAS Number
64806-05-9

Chemical Information

Captopril disulfide
CAS Number64806-05-9
PubChem CID10002934
IUPAC Name(2S)-1-[(2S)-3-[[(2S)-3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC18H28N2O6S2
Molecular Weight432.6
XLogP1.1
Topological Polar Surface Area166
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity565
SMILES
C[C@H](CSSC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(=O)N2CCC[C@H]2C(=O)O
InChI
InChI=1S/C18H28N2O6S2/c1-11(15(21)19-7-3-5-13(19)17(23)24)9-27-28-10-12(2)16(22)20-8-4-6-14(20)18(25)26/h11-14H,3-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,12-,13+,14+/m1/s1
InChIKey
ZWKRXBCJAUKDCI-MQYQWHSLSA-N
Chemical Structure
2D Structure
2D structure of Captopril disulfide
CAS: 64806-05-9
CID: 10002934
Formula: C18H28N2O6S2
MW: 432.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.6
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass432.13887896
Monoisotopic Mass432.13887896
Topological Polar Surface Area166 Ų
Heavy Atom Count28
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS387881-01Captopril disulfide
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