CID 92223390

103480-08-6

Structural Information

Molecular Formula
C24H26N4O6
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C24H26N4O6/c1-33-23(31)21(11-16-7-9-19(29)10-8-16)27-22(30)20(12-18-13-25-15-26-18)28-24(32)34-14-17-5-3-2-4-6-17/h2-10,13,15,20-21,29H,11-12,14H2,1H3,(H,25,26)(H,27,30)(H,28,32)/t20-,21-/m0/s1
InChIKey
IVKAUWABBPXQJU-SFTDATJTSA-N
Compound name
methyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.18524 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.19252 209.1
[M+Na]+ 489.17446 215.3
[M+NH4]+ 484.21906 210.4
[M+K]+ 505.14840 214.9
[M-H]- 465.17796 209.9
[M+Na-2H]- 487.15991 213.2
[M]+ 466.18469 209.3
[M]- 466.18579 209.3
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.