(glutathion-S-yl)(1H-indol-3-yl)acetonitrile

(glutathion-<i>S</i>-yl)(1<i>H</i>-indol-3-yl)acetonitrile




Chemical Formula:
C20H22N5O6S
Molecular Weight:
460.484 Daltons
Monoisotopic Mass:
462.14472921899994 Daltons
SMILES:
C2(NC1(C=CC=CC=1C(C(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)C#N)=2))
InChI:
1S/C20H23N5O6S/c21-7-16(12-8-23-14-4-2-1-3-11(12)14)32-10-15(19(29)24-9-18(27)28)25-17(26)6-5-13(22)20(30)31/h1-4,8,13,15-16,23H,5-6,9-10,22H2,(H,24,29)(H,25,26)(H,27,28)(H,30,31)/p-1/t13-,15-,16?/m0/s1
InChIKey:
IYKWLNJKMRZQJG-JFXOEICMSA-M

Synonyms
  • γGluCys(IAN)Gly
  • IAN-glutathione conjugate

Databases
MetaCyc:  CPD-12634
ChEBI:  64981
PubChem (CID):  70788956
MetaboLights:  MTBLC64980
MetaNetX:  MNXM11869