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]+ 373.17580 188.7
[M+Na]+ 395.15774 190.7
[M-H]- 371.16124 191.8
[M+NH4]+ 390.20234 200.3
[M+K]+ 411.13168 189.8
[M+H-H2O]+ 355.16578 180.2
[M+HCOO]- 417.16672 207.9
[M+CH3COO]- 431.18237 223.5
[M+Na-2H]- 393.14319 188.7
[M]+ 372.16797 191.8
[M]- 372.16907 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.