CID 2756103

Fmoc-dap(boc)-oh

Structural Information

Molecular Formula
C23H26N2O6
SMILES
CC(C)(C)OC(=O)NC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H26N2O6/c1-23(2,3)31-21(28)24-12-19(20(26)27)25-22(29)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-/m0/s1
InChIKey
PKAUMAVONPSDRW-IBGZPJMESA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

751
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

literature stripe

Patent stripe

patents stripe