CID 7016119

L-alanyl-l-leucyl-l-alanine

Structural Information

Molecular Formula
C12H23N3O4
SMILES
C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)N
InChI
InChI=1S/C12H23N3O4/c1-6(2)5-9(15-10(16)7(3)13)11(17)14-8(4)12(18)19/h6-9H,5,13H2,1-4H3,(H,14,17)(H,15,16)(H,18,19)/t7-,8-,9-/m0/s1
InChIKey
HCZXHQADHZIEJD-CIUDSAMLSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

574
Patents

273.16885 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.17613 167.0
[M+Na]+ 296.15807 168.4
[M+NH4]+ 291.20267 169.1
[M+K]+ 312.13201 169.4
[M-H]- 272.16157 162.8
[M+Na-2H]- 294.14352 163.7
[M]+ 273.16830 164.8
[M]- 273.16940 164.8
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