CID 188335

Glycine, n-(n-l-gamma-s-(hydroxymethyl)-l-cysteinyl)-

Structural Information

Molecular Formula
C11H19N3O7S
SMILES
C(CC(=O)N(CC(=O)O)C(=O)[C@H](CSCO)N)[C@@H](C(=O)O)N
InChI
InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14(3-9(17)18)10(19)7(13)4-22-5-15/h6-7,15H,1-5,12-13H2,(H,17,18)(H,20,21)/t6-,7-/m0/s1
InChIKey
FVCYCKKFSCQFOG-BQBZGAKWSA-N
Compound name
(2S)-2-amino-5-[[(2R)-2-amino-3-(hydroxymethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

0
Patents

337.09436 Da
Monoisotopic Mass

-7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.101636 175.3
[M+Na]+ 360.083578 174.7
[M-H]- 336.087084 170.2
[M+NH4]+ 355.128183 184.7
[M+K]+ 376.057518 175.0
[M+H-H2O]+ 320.091620 167.5
[M+HCOO]- 382.092561 185.5
[M+CH3COO]- 396.108211 212.3
[M+Na-2H]- 358.069026 167.9
[M]+ 337.09381142 174.4
[M]- 337.09490858 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.