CID 16220131

Nalpha-[(benzyloxy)carbonyl]-n-[(1r)-4-hydroxy-1-methyl-2-oxobutyl]-l-phenylalaninamide

Structural Information

Molecular Formula
C22H26N2O5
SMILES
C[C@H](C(=O)CCO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C22H26N2O5/c1-16(20(26)12-13-25)23-21(27)19(14-17-8-4-2-5-9-17)24-22(28)29-15-18-10-6-3-7-11-18/h2-11,16,19,25H,12-15H2,1H3,(H,23,27)(H,24,28)/t16-,19+/m1/s1
InChIKey
UUOOAGBWJUGBMV-APWZRJJASA-N
Compound name
benzyl N-[(2S)-1-[[(2R)-5-hydroxy-3-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

398.18417 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.191446 196.9
[M+Na]+ 421.173388 196.6
[M-H]- 397.176894 200.5
[M+NH4]+ 416.217993 205.0
[M+K]+ 437.147328 194.5
[M+H-H2O]+ 381.181430 187.2
[M+HCOO]- 443.182371 215.6
[M+CH3COO]- 457.198021 224.1
[M+Na-2H]- 419.158836 195.3
[M]+ 398.18362142 197.0
[M]- 398.18471858 197.0
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.