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

Chemical Formula:

C₁₂H₂₀N₄O₅S

Molecular Weight:

332.374 Daltons

Monoisotopic Mass:

334.1310905275 Daltons

SMILES:

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

InChI:

1S/C12H20N4O5S/c1-16(2,3)9(11(19)20)4-7-5-14-12(15-7)22(21)6-8(13)10(17)18/h5,8-9H,4,6,13H2,1-3H3,(H2-,14,15,17,18,19,20)/t8-,9-,22?/m0/s1

InChIKey:

CSTNDZVKJNPMIG-PTZMPWRZSA-N

Synonyms

Databases

MetaCyc: CPD-15277

ChEBI: 82706

PubChem (CID): 86289933

MetaNetX: MNXM145810

KEGG: C20994