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]+ 338.10164 175.3
[M+Na]+ 360.08358 174.7
[M-H]- 336.08708 170.2
[M+NH4]+ 355.12818 184.7
[M+K]+ 376.05752 175.0
[M+H-H2O]+ 320.09162 167.5
[M+HCOO]- 382.09256 185.5
[M+CH3COO]- 396.10821 212.3
[M+Na-2H]- 358.06903 167.9
[M]+ 337.09381 174.4
[M]- 337.09491 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.