L-cystine   

GtoPdb Ligand ID: 5413

Synonyms: (-)-cystine | cystine | L-dicysteine
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 177.24
Molecular weight 240.02
XLogP -3.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(C(=O)O)CSSCC(C(=O)O)N
Isomeric SMILES N[C@H](C(=O)O)CSSC[C@@H](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)/t3-,4-/m0/s1
InChI Key LEVWYRKDKASIDU-IMJSIDKUSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2R)-2-amino-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid
Synonyms
(-)-cystine | cystine | L-dicysteine
Database Links
CAS Registry No. 56-89-3
ChEBI CHEBI:16283
ChEMBL Ligand CHEMBL590540
DrugBank Ligand DB00138
DrugCentral Ligand 4130
GtoPdb PubChem SID 178102066
PubChem CID 67678
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Wikipedia Cystine