CID 91864502

Myristoyl tripeptide-1

Structural Information

Molecular Formula
C29H52N6O4
SMILES
CCCCCCCCCCCCCC(=C)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C29H52N6O4/c1-3-4-5-6-7-8-9-10-11-12-13-16-23(2)32-21-27(36)34-26(19-24-20-31-22-33-24)28(37)35-25(29(38)39)17-14-15-18-30/h20,22,25-26,32H,2-19,21,30H2,1H3,(H,31,33)(H,34,36)(H,35,37)(H,38,39)/t25-,26-/m0/s1
InChIKey
VPKUVDNRBJTWBL-UIOOFZCWSA-N
Compound name
(2S)-6-amino-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-(pentadec-1-en-2-ylamino)acetyl]amino]propanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

548.405 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.41228 238.5
[M+Na]+ 571.39422 256.7
[M+NH4]+ 566.43882 247.8
[M+K]+ 587.36816 252.1
[M-H]- 547.39772 247.0
[M+Na-2H]- 569.37967 232.9
[M]+ 548.40445 246.7
[M]- 548.40555 246.7
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