CID 91820245

Gamma-l-glutamyl-(s)-2-carboxypropyl-l-cysteine

Structural Information

Molecular Formula
C12H20N2O7S
SMILES
CC(CSC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C12H20N2O7S/c1-6(10(16)17)4-22-5-8(12(20)21)14-9(15)3-2-7(13)11(18)19/h6-8H,2-5,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/t6?,7-,8-/m0/s1
InChIKey
USEJNLPKVXGAOO-ALKRTJFJSA-N
Compound name
(2S)-2-amino-5-[[(1R)-1-carboxy-2-(2-carboxypropylsulfanyl)ethyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

336.09912 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10640 176.2
[M+Na]+ 359.08834 175.7
[M-H]- 335.09184 170.2
[M+NH4]+ 354.13294 185.7
[M+K]+ 375.06228 175.1
[M+H-H2O]+ 319.09638 169.1
[M+HCOO]- 381.09732 184.4
[M+CH3COO]- 395.11297 208.6
[M+Na-2H]- 357.07379 168.5
[M]+ 336.09857 175.9
[M]- 336.09967 175.9
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

No patent data available for this compound.