CID 75534969

171860-40-5

Structural Information

Molecular Formula
C26H32N2O6
SMILES
C[C@@](CCCNC(=O)OC(C)(C)C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C26H32N2O6/c1-25(2,3)34-23(31)27-15-9-14-26(4,22(29)30)28-24(32)33-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21H,9,14-16H2,1-4H3,(H,27,31)(H,28,32)(H,29,30)/t26-/m1/s1
InChIKey
HUGFTODLQPYAOF-AREMUKBSSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.22604 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.23332 213.7
[M+Na]+ 491.21526 215.4
[M-H]- 467.21876 216.5
[M+NH4]+ 486.25986 223.9
[M+K]+ 507.18920 213.5
[M+H-H2O]+ 451.22330 207.0
[M+HCOO]- 513.22424 228.6
[M+CH3COO]- 527.23989 237.6
[M+Na-2H]- 489.20071 216.2
[M]+ 468.22549 218.5
[M]- 468.22659 218.5
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.