CID 7019073

Fmoc-gly-val-oh

Structural Information

Molecular Formula
C22H24N2O5
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H24N2O5/c1-13(2)20(21(26)27)24-19(25)11-23-22(28)29-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18,20H,11-12H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)/t20-/m0/s1
InChIKey
ORVHFHUXDLSLMX-FQEVSTJZSA-N
Compound name
(2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

396.16852 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17580 194.1
[M+Na]+ 419.15774 196.5
[M-H]- 395.16124 197.2
[M+NH4]+ 414.20234 206.9
[M+K]+ 435.13168 194.2
[M+H-H2O]+ 379.16578 186.9
[M+HCOO]- 441.16672 211.4
[M+CH3COO]- 455.18237 226.1
[M+Na-2H]- 417.14319 193.1
[M]+ 396.16797 196.0
[M]- 396.16907 196.0
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