indol-3-ylmethylisothiocyanate-glutathione

Chemical Formula:

C₂₀H₂₄N₅O₆S₂

Molecular Weight:

494.559 Daltons

Monoisotopic Mass:

496.1324499732 Daltons

SMILES:

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

InChI:

1S/C20H25N5O6S2/c21-13(19(30)31)5-6-16(26)25-15(18(29)23-9-17(27)28)10-33-20(32)24-8-11-7-22-14-4-2-1-3-12(11)14/h1-4,7,13,15,22H,5-6,8-10,21H2,(H,23,29)(H,24,32)(H,25,26)(H,27,28)(H,30,31)/p-1/t13-,15-/m0/s1

InChIKey:

WJEGHYZNKDEWFC-ZFWWWQNUSA-M

Databases

MetaCyc: CPDQT-434

PubChem (CID): 44237244 134820202

Seed: cpd26654

MetaNetX: MNXM11862