CID 15382435

Z-asp(obzl)-osu

Structural Information

Molecular Formula
C23H22N2O8
SMILES
C1CC(=O)N(C1=O)OC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C23H22N2O8/c26-19-11-12-20(27)25(19)33-22(29)18(13-21(28)31-14-16-7-3-1-4-8-16)24-23(30)32-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,24,30)/t18-/m0/s1
InChIKey
WCIMRCGAANBKFS-SFHVURJKSA-N
Compound name
4-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.1376 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.14488 203.0
[M+Na]+ 477.12682 210.0
[M+NH4]+ 472.17142 204.9
[M+K]+ 493.10076 209.2
[M-H]- 453.13032 203.7
[M+Na-2H]- 475.11227 206.5
[M]+ 454.13705 203.3
[M]- 454.13815 203.3
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.