CID 56972868

Fmoc-5-chloro-l-tryptophan

Structural Information

Molecular Formula
C26H21ClN2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)Cl)C(=O)O
InChI
InChI=1S/C26H21ClN2O4/c27-16-9-10-23-21(12-16)15(13-28-23)11-24(25(30)31)29-26(32)33-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-10,12-13,22,24,28H,11,14H2,(H,29,32)(H,30,31)/t24-/m0/s1
InChIKey
ZRVDPQCSRZAYPG-DEOSSOPVSA-N
Compound name
(2S)-3-(5-chloro-1H-indol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

460.119 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.12628 208.0
[M+Na]+ 483.10822 220.9
[M+NH4]+ 478.15282 214.9
[M+K]+ 499.08216 216.9
[M-H]- 459.11172 211.5
[M+Na-2H]- 481.09367 212.1
[M]+ 460.11845 211.0
[M]- 460.11955 211.0
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