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 173.4
[M+Na]+ 326.16862 173.3
[M+NH4]+ 321.21322 197.2
[M+K]+ 342.14256 175.8
[M-H]- 302.17212 167.8
[M+Na-2H]- 324.15407 168.5
[M]+ 303.17885 170.5
[M]- 303.17995 170.5
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

patents stripe