Ketcher 08171609572D 1   1.00000     0.00000     0

 22 21  0     0  0            999 V2000
   10.9197   -5.6695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6611   -5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6611   -4.6643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7904   -6.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5317   -6.1721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7864   -7.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6550   -7.6184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.2733   -6.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4064   -5.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2698   -7.1832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1657   -5.7093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6508   -8.6237    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9156  -10.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6569  -10.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6569  -11.5777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7863  -10.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5275  -10.0699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7822   -9.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2692  -10.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4022  -10.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2656   -9.0588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1615  -10.5327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0     0  0
  4  2  1  0     0  0
  5  2  1  0     0  0
  4  1  1  0     0  0
  6  4  1  0     0  0
  7  6  1  0     0  0
  9  8  1  0     0  0
 10  8  2  0     0  0
 11  8  1  0     0  0
  9  5  1  0     0  0
  7 12  1  0     0  0
 15 14  2  0     0  0
 16 14  1  0     0  0
 17 14  1  0     0  0
 16 13  1  0     0  0
 18 16  1  0     0  0
 12 18  1  0     0  0
 20 19  1  0     0  0
 21 19  2  0     0  0
 22 19  1  0     0  0
 20 17  1  0     0  0
M  END
> <ID>
CHEBI:133040

> <NAME>
Cys-Gly disulfide

> <DEFINITION>
An organic disulfide obtained by the oxidation of two Cys-Gly molecules which are then linked via a disulfide bond.

> <STAR>
3

> <SYNONYM>
Cys-Gly, oxidized; Cys-Gly, oxidised; Cys-Gly dimer; Cys(Cys-Gly)-Gly; (Cys-Gly)2; ((2-Amino-3-((2-amino-3-((carboxymethyl)amino)-3-oxopropyl)dithio)propanoyl)amino)acetic acid

> <IUPAC_NAME>
2,2'-{disulfanediylbis[(2-amino-1-oxopropane-3,1-diyl)azanediyl]}diacetic acid

> <FORMULA>
C10H18N4O6S2

> <MASS>
354.406

> <MONOISOTOPIC_MASS>
354.06678

> <CHARGE>
0

> <SMILES>
NC(C(=O)NCC(=O)O)CSSCC(C(=O)NCC(=O)O)N

> <INCHI>
InChI=1S/C10H18N4O6S2/c11-5(9(19)13-1-7(15)16)3-21-22-4-6(12)10(20)14-2-8(17)18/h5-6H,1-4,11-12H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)

> <INCHIKEY>
KDJVKDYFFTWHBO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
7729-20-6

> <REAXYS_REGISTRY_NUMBER>
2177179

> <CHEMIDPLUS>
7729-20-6

$$$$