CID 6475746

Fmdp-leu

Structural Information

Molecular Formula
C14H23N3O6
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)C(CNC(=O)/C=C/C(=O)OC)N
InChI
InChI=1S/C14H23N3O6/c1-8(2)6-10(14(21)22)17-13(20)9(15)7-16-11(18)4-5-12(19)23-3/h4-5,8-10H,6-7,15H2,1-3H3,(H,16,18)(H,17,20)(H,21,22)/b5-4+/t9?,10-/m0/s1
InChIKey
WMRULULWXGOKDR-VVMSLXPCSA-N
Compound name
(2S)-2-[[2-amino-3-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]propanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

329.1587 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16598 179.0
[M+Na]+ 352.14792 179.6
[M-H]- 328.15142 176.3
[M+NH4]+ 347.19252 193.1
[M+K]+ 368.12186 180.5
[M+H-H2O]+ 312.15596 171.7
[M+HCOO]- 374.15690 183.4
[M+CH3COO]- 388.17255 215.6
[M+Na-2H]- 350.13337 172.8
[M]+ 329.15815 178.1
[M]- 329.15925 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.