indol-3-ylmethylisothiocyanate-[γ-Glu-Cys}

Chemical Formula:

C₁₈H₂₁N₄O₅S₂

Molecular Weight:

437.508 Daltons

Monoisotopic Mass:

439.1109862496 Daltons

SMILES:

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

InChI:

1S/C18H22N4O5S2/c19-12(16(24)25)5-6-15(23)22-14(17(26)27)9-29-18(28)21-8-10-7-20-13-4-2-1-3-11(10)13/h1-4,7,12,14,20H,5-6,8-9,19H2,(H,21,28)(H,22,23)(H,24,25)(H,26,27)/p-1/t12-,14-/m0/s1

InChIKey:

GZOFCUCPYZIBSD-JSGCOSHPSA-M

Databases

MetaCyc: CPD-21172

PubChem (CID): 134820009