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DL-Cystine

CAT: 0127-OR1013029-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1013029-01Size:5 g
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CAS Number
923-32-0
MDL Number
MFCD22377802
Purity
99%
Smiles
NC(CSSCC(N)C(=O)O)C(=O)O

Chemical Information

2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate

Cystine is a sulfur-containing amino acid obtained by the oxidation of two cysteine molecules which are then linked via a disulfide bond. It has a role as a mouse metabolite and a human metabolite. It is a cysteine derivative, a sulfur-containing amino acid and an organic disulfide. It is a tautomer of a cystine zwitterion.

CAS Number923-32-0
PubChem CID595
IUPAC Name2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid
Molecular FormulaC6H12N2O4S2
Molecular Weight240.3
XLogP-6.3
Topological Polar Surface Area177
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity192
SMILES
C(C(C(=O)O)N)SSCC(C(=O)O)N
InChI
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
InChIKey
LEVWYRKDKASIDU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate
CAS: 923-32-0
CID: 595
Formula: C6H12N2O4S2
MW: 240.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.3
XLogP3-6.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass240.02384922
Monoisotopic Mass240.02384922
Topological Polar Surface Area177 Ų
Heavy Atom Count14
Formal Charge0
Complexity192
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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