CID 17040123

Boc-d-dab(fmoc)-oh

Structural Information

Molecular Formula
C24H28N2O6
SMILES
CC(C)(C)OC(=O)N[C@H](CCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C24H28N2O6/c1-24(2,3)32-23(30)26-20(21(27)28)12-13-25-22(29)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t20-/m1/s1
InChIKey
MJZDTTZGQUEOBL-HXUWFJFHSA-N
Compound name
(2R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

440.19473 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.20201 203.5
[M+Na]+ 463.18395 209.2
[M+NH4]+ 458.22855 207.0
[M+K]+ 479.15789 208.1
[M-H]- 439.18745 202.6
[M+Na-2H]- 461.16940 203.7
[M]+ 440.19418 203.4
[M]- 440.19528 203.4
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