CID 75534991

1932033-81-2

Structural Information

Molecular Formula
C24H28N2O6
SMILES
C[C@H]([C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OC(C)(C)C
InChI
InChI=1S/C24H28N2O6/c1-14(25-23(30)32-24(2,3)4)20(21(27)28)26-22(29)31-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,25,30)(H,26,29)(H,27,28)/t14-,20-/m1/s1
InChIKey
IETIWIXNTKKVMT-JLTOFOAXSA-N
Compound name
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.19473 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.20201 202.4
[M+Na]+ 463.18395 207.7
[M+NH4]+ 458.22855 205.8
[M+K]+ 479.15789 207.6
[M-H]- 439.18745 201.3
[M+Na-2H]- 461.16940 202.4
[M]+ 440.19418 202.2
[M]- 440.19528 202.2
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.