indol-3-ylmethylisothiocyanate-L-cysteine

Chemical Formula:

C₁₃H₁₅N₃O₂S₂

Molecular Weight:

309.4 Daltons

Monoisotopic Mass:

310.0683931534 Daltons

SMILES:

C(NC(SCC(C([O-])=O)[N+])=S)C1(=CNC2(=C1C=CC=C2))

InChI:

1S/C13H15N3O2S2/c14-10(12(17)18)7-20-13(19)16-6-8-5-15-11-4-2-1-3-9(8)11/h1-5,10,15H,6-7,14H2,(H,16,19)(H,17,18)/t10-/m0/s1

InChIKey:

WYPFKKHHBKZRFG-JTQLQIEISA-N

Databases

MetaCyc: CPD-21171

PubChem (CID): 134820267