2-(cystein-S-yl)-2-(1H-indol-3-yl)-acetonitrile
Chemical Formula:
C13H13N3O2S
Molecular Weight:
275.325 Daltons
Monoisotopic Mass:
276.0806723992 Daltons
SMILES:
C2(NC1(C=CC=CC=1C(C(SCC(C(=O)[O-])[N+])C#N)=2))
InChI:
1S/C13H13N3O2S/c14-5-12(19-7-10(15)13(17)18)9-6-16-11-4-2-1-3-8(9)11/h1-4,6,10,12,16H,7,15H2,(H,17,18)/t10-,12?/m0/s1
InChIKey:
Synonyms
- Cys(IAN)
- IAN-cysteine conjugate
- 2-amino-3-{[cyano(1H-indol-3-yl)methyl]sulfanyl}propanoic acid
- indole-3-acetonitrile-cysteine conjugate
Databases
MetaCyc:
CPD-12636
ChEBI:
79191
PubChem (CID):
86289810
MetaboLights:
MTBLC64988
MetaNetX:
MNXM11868