CID 57262456

L-glutaminyl-l-valine

Structural Information

Molecular Formula
C10H19N3O4
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N
InChI
InChI=1S/C10H19N3O4/c1-5(2)8(10(16)17)13-9(15)6(11)3-4-7(12)14/h5-6,8H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)/t6-,8-/m0/s1
InChIKey
MRVYVEQPNDSWLH-XPUUQOCRSA-N
Compound name
(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2002
Patents

245.13756 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14484 159.5
[M+Na]+ 268.12678 161.4
[M-H]- 244.13028 156.8
[M+NH4]+ 263.17138 173.8
[M+K]+ 284.10072 162.1
[M+H-H2O]+ 228.13482 152.8
[M+HCOO]- 290.13576 177.7
[M+CH3COO]- 304.15141 201.4
[M+Na-2H]- 266.11223 154.8
[M]+ 245.13701 155.4
[M]- 245.13811 155.4
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

patents stripe