CID 25099093

Gamma-glutamyl-valyl-glycine

Structural Information

Molecular Formula
C12H21N3O6
SMILES
CC(C)[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C12H21N3O6/c1-6(2)10(11(19)14-5-9(17)18)15-8(16)4-3-7(13)12(20)21/h6-7,10H,3-5,13H2,1-2H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,10-/m0/s1
InChIKey
HJXBLWNEFLKSSL-XVKPBYJWSA-N
Compound name
(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

270
Patents

303.14304 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.150316 171.3
[M+Na]+ 326.132258 171.7
[M-H]- 302.135764 167.4
[M+NH4]+ 321.176863 182.6
[M+K]+ 342.106198 173.0
[M+H-H2O]+ 286.140300 164.2
[M+HCOO]- 348.141241 187.7
[M+CH3COO]- 362.156891 209.8
[M+Na-2H]- 324.117706 165.4
[M]+ 303.14249142 168.5
[M]- 303.14358858 168.5
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.