CID 17040149

Fmoc-4-[2-(boc-amino)ethoxy]-l-phenylalanine

Structural Information

Molecular Formula
C31H34N2O7
SMILES
CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C31H34N2O7/c1-31(2,3)40-29(36)32-16-17-38-21-14-12-20(13-15-21)18-27(28(34)35)33-30(37)39-19-26-24-10-6-4-8-22(24)23-9-5-7-11-25(23)26/h4-15,26-27H,16-19H2,1-3H3,(H,32,36)(H,33,37)(H,34,35)/t27-/m0/s1
InChIKey
BQFZEDGXSYOUAW-MHZLTWQESA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

546.2366 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.24388 231.1
[M+Na]+ 569.22582 231.1
[M-H]- 545.22932 236.7
[M+NH4]+ 564.27042 237.2
[M+K]+ 585.19976 229.4
[M+H-H2O]+ 529.23386 222.0
[M+HCOO]- 591.23480 246.0
[M+CH3COO]- 605.25045 252.3
[M+Na-2H]- 567.21127 230.6
[M]+ 546.23605 236.3
[M]- 546.23715 236.3
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