chempirical

Glutathione disulfide

C20H32N6O12S2CAS 27025-41-8612.63 g/mol

Open in Covalent MOL file
NH2ONHSSNHONH2OOHOHNOOHONHOOHOHO
Carboxylic acidDisulfidePrimary amine

Properties

Molecular formula
C20H32N6O12S2
Molar mass
612.63 g/mol
Exact mass
612.1520 Da
Melting point
170–172 °C
logP
-0.52Crippen estimate
Polar surface area
331.6 Ų
H-bond donors / acceptors
10 / 12
Rotatable bonds
21
Stereocentres
S, R, R, Sin SMILES atom order

Identifiers

CAS number
27025-41-8
SMILES
N[C@@H](CCC(O)=N[C@@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)C(O)=NCC(=O)O)C(=O)O
InChIKey
YPZRWBKMTBYPTK-BJDJZHNGSA-N
InChI
InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • Glycine, L-γ-glutamyl-L-cysteinyl-, bimol. (2→2′)-disulfide
  • Glutamine, N,N′-[dithiobis[1-[(carboxymethyl)carbamoyl]ethylene]]di-, L-
  • Glutamine, N,N′-[dithiobis[1-[(carboxymethyl)carbamoyl]ethylene]]di-
  • Glutathione-SSG
  • GSSG
  • Oxidized glutathione
  • Glutathione, disulfide
  • Glutathione, oxidized
  • Glutathione-S-S-glutathione
  • Oxidized L-glutathione
  • Glutathione disulphide
  • Sleep-promoting factor B
  • Oxiglutatione
  • Selenoglutathione

Work with Glutathione disulfide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

S-Nitrosoglutathione57564-91-780 % similar S-Acetylglutathione3054-47-577 % similar Glutathione70-18-876 % similar Poly(L-glutamic acid)25513-46-648 % similar Glutamic acid56-86-048 % similar Glutamic acid617-65-248 % similar L-Theanine3081-61-647 % similar Glutamic acid hydrochloride138-15-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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