CID 89655886

1446013-08-6

Structural Information

Molecular Formula
C25H26N4O5
SMILES
CC(C)(C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H26N4O5/c1-25(2,23(31)32)29-22(30)21(11-15-12-26-14-27-15)28-24(33)34-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,12,14,20-21H,11,13H2,1-2H3,(H,26,27)(H,28,33)(H,29,30)(H,31,32)/t21-/m0/s1
InChIKey
DRXNKOXLDLFGEG-NRFANRHFSA-N
Compound name
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

462.1903 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.19758 206.6
[M+Na]+ 485.17952 212.4
[M+NH4]+ 480.22412 209.4
[M+K]+ 501.15346 213.8
[M-H]- 461.18302 206.3
[M+Na-2H]- 483.16497 208.2
[M]+ 462.18975 206.6
[M]- 462.19085 206.6
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

patents stripe