CID 11962376

Palmitoyl dipeptide-7

Structural Information

Molecular Formula
C26H51N3O5
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O
InChI
InChI=1S/C26H51N3O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23(31)28-22(18-16-17-20-27)25(32)29-24(21(2)30)26(33)34/h21-22,24,30H,3-20,27H2,1-2H3,(H,28,31)(H,29,32)(H,33,34)/t21-,22+,24+/m1/s1
InChIKey
FGSPQNZCLMWQAS-GPXNEJASSA-N
Compound name
(2S,3R)-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

766
Patents

485.38287 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.39015 235.9
[M+Na]+ 508.37209 245.3
[M+NH4]+ 503.41669 240.1
[M+K]+ 524.34603 241.0
[M-H]- 484.37559 236.5
[M+Na-2H]- 506.35754 241.3
[M]+ 485.38232 237.4
[M]- 485.38342 237.4
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