CID 16211325

Boc-orn(fmoc)-oh

Structural Information

Molecular Formula
C25H30N2O6
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C25H30N2O6/c1-25(2,3)33-24(31)27-21(22(28)29)13-8-14-26-23(30)32-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)/t21-/m0/s1
InChIKey
YEBWACZYMHWWEK-NRFANRHFSA-N
Compound name
(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

454.2104 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.21768 207.8
[M+Na]+ 477.19962 213.3
[M+NH4]+ 472.24422 211.2
[M+K]+ 493.17356 212.0
[M-H]- 453.20312 206.9
[M+Na-2H]- 475.18507 207.8
[M]+ 454.20985 207.7
[M]- 454.21095 207.7
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

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