CID 11165770

Fmoc-val-ala-oh

Structural Information

Molecular Formula
C23H26N2O5
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H26N2O5/c1-13(2)20(21(26)24-14(3)22(27)28)25-23(29)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,13-14,19-20H,12H2,1-3H3,(H,24,26)(H,25,29)(H,27,28)/t14-,20-/m0/s1
InChIKey
KQZMZNLKVKGMJS-XOBRGWDASA-N
Compound name
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

475
Patents

410.18417 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19145 196.9
[M+Na]+ 433.17339 202.9
[M+NH4]+ 428.21799 201.1
[M+K]+ 449.14733 201.9
[M-H]- 409.17689 196.7
[M+Na-2H]- 431.15884 197.0
[M]+ 410.18362 197.0
[M]- 410.18472 197.0
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