CID 49767955

L-valine, n-[(2-naphthalenyloxy)acetyl]glycyl-, methyl ester

Structural Information

Molecular Formula
C20H24N2O5
SMILES
CC(C)[C@@H](C(=O)OC)NC(=O)CNC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C20H24N2O5/c1-13(2)19(20(25)26-3)22-17(23)11-21-18(24)12-27-16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13,19H,11-12H2,1-3H3,(H,21,24)(H,22,23)/t19-/m0/s1
InChIKey
RXXBYRBOPOGDNR-IBGZPJMESA-N
Compound name
methyl (2S)-3-methyl-2-[[2-[(2-naphthalen-2-yloxyacetyl)amino]acetyl]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.16852 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.175796 188.7
[M+Na]+ 395.157738 190.7
[M-H]- 371.161244 191.8
[M+NH4]+ 390.202343 200.3
[M+K]+ 411.131678 189.8
[M+H-H2O]+ 355.165780 180.2
[M+HCOO]- 417.166721 207.9
[M+CH3COO]- 431.182371 223.5
[M+Na-2H]- 393.143186 188.7
[M]+ 372.16797142 191.8
[M]- 372.16906858 191.8
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

No patent data available for this compound.