CID 71464637

Leu-thr-ala

Structural Information

Molecular Formula
C13H25N3O5
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(C)C)N)O
InChI
InChI=1S/C13H25N3O5/c1-6(2)5-9(14)11(18)16-10(8(4)17)12(19)15-7(3)13(20)21/h6-10,17H,5,14H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)/t7-,8+,9-,10-/m0/s1
InChIKey
ZJZNLRVCZWUONM-JXUBOQSCSA-N
Compound name
(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23167
Patents

303.1794 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18668 175.6
[M+Na]+ 326.16862 175.4
[M-H]- 302.17212 171.7
[M+NH4]+ 321.21322 187.0
[M+K]+ 342.14256 177.0
[M+H-H2O]+ 286.17666 168.8
[M+HCOO]- 348.17760 190.3
[M+CH3COO]- 362.19325 212.4
[M+Na-2H]- 324.15407 167.8
[M]+ 303.17885 171.8
[M]- 303.17995 171.8
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