CID 73937309

Carbobenzyloxy-l-phenylalanyl-l-norleucine methyl ester

Structural Information

Molecular Formula
C24H30N2O5
SMILES
CCCC[C@@H](C(=O)OC)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C24H30N2O5/c1-3-4-15-20(23(28)30-2)25-22(27)21(16-18-11-7-5-8-12-18)26-24(29)31-17-19-13-9-6-10-14-19/h5-14,20-21H,3-4,15-17H2,1-2H3,(H,25,27)(H,26,29)/t20-,21+/m0/s1
InChIKey
DRTXVFXWMAZLEV-LEWJYISDSA-N
Compound name
methyl (2S)-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.21548 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.22276 204.8
[M+Na]+ 449.20470 212.0
[M+NH4]+ 444.24930 208.3
[M+K]+ 465.17864 207.3
[M-H]- 425.20820 206.6
[M+Na-2H]- 447.19015 209.0
[M]+ 426.21493 205.7
[M]- 426.21603 205.7
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.