CID 131752387

L-gamma-glutamyl-s-allylthio-l-cysteine

Structural Information

Molecular Formula
C11H18N2O5S2
SMILES
C=CCSSCC(C(=O)O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C11H18N2O5S2/c1-2-5-19-20-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey
VTEHWEWRSAXLHY-UHFFFAOYSA-N
Compound name
2-amino-5-[[1-carboxy-2-(prop-2-enyldisulfanyl)ethyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

322.0657 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07298 171.8
[M+Na]+ 345.05492 172.1
[M-H]- 321.05842 166.4
[M+NH4]+ 340.09952 182.6
[M+K]+ 361.02886 167.8
[M+H-H2O]+ 305.06296 164.3
[M+HCOO]- 367.06390 176.9
[M+CH3COO]- 381.07955 205.5
[M+Na-2H]- 343.04037 165.8
[M]+ 322.06515 171.8
[M]- 322.06625 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe