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 168.7
[M+Na]+ 296.15807 169.7
[M-H]- 272.16157 166.4
[M+NH4]+ 291.20267 182.3
[M+K]+ 312.13201 170.9
[M+H-H2O]+ 256.16611 162.0
[M+HCOO]- 318.16705 186.0
[M+CH3COO]- 332.18270 208.2
[M+Na-2H]- 294.14352 162.9
[M]+ 273.16830 165.7
[M]- 273.16940 165.7
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