γ-L-glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide

Chemical Formula:

C₁₇H₂₆N₅O₈S

Molecular Weight:

460.481 Daltons

Monoisotopic Mass:

463.17368362369996 Daltons

SMILES:

C[N+](C(C(=O)[O-])CC1(=CNC(S(=O)CC(C([O-])=O)NC(=O)CCC([N+])C(=O)[O-])=N1))(C)C

InChI:

1S/C17H27N5O8S/c1-22(2,3)12(16(28)29)6-9-7-19-17(20-9)31(30)8-11(15(26)27)21-13(23)5-4-10(18)14(24)25/h7,10-12H,4-6,8,18H2,1-3H3,(H4-,19,20,21,23,24,25,26,27,28,29)/p-1/t10-,11-,12-,31?/m0/s1

InChIKey:

SJHLSLUUWIBQNS-TYLCEOGASA-M

Synonyms

γ-glutamyl-hercynylcysteine sulfoxide
γ-glutamyl-hercynylcysteine S-oxide
S-(hercyn-2-yl)-γ-L-glutamyl-L-cysteine S-oxide

Databases

MetaCyc: CPD-15279

ChEBI: 82703

PubChem (CID): 86289928

MetaNetX: MNXM145857

KEGG: C20995