CID 2755948

Boc-d-dap(fmoc)-oh

Structural Information

Molecular Formula
C23H26N2O6
SMILES
CC(C)(C)OC(=O)N[C@H](CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C23H26N2O6/c1-23(2,3)31-22(29)25-19(20(26)27)12-24-21(28)30-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)/t19-/m1/s1
InChIKey
MVWPBNQGEGBGRF-LJQANCHMSA-N
Compound name
(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

400
Patents

426.17908 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.18636 199.2
[M+Na]+ 449.16830 205.0
[M+NH4]+ 444.21290 202.9
[M+K]+ 465.14224 204.2
[M-H]- 425.17180 198.3
[M+Na-2H]- 447.15375 199.6
[M]+ 426.17853 199.1
[M]- 426.17963 199.1
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