CID 73415788

Myristoyl pentapeptide-4

Structural Information

Molecular Formula
C37H71N7O10
SMILES
CCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O
InChI
InChI=1S/C37H71N7O10/c1-4-5-6-7-8-9-10-11-12-13-14-21-30(48)40-27(19-15-17-22-38)34(50)43-32(26(3)47)36(52)44-31(25(2)46)35(51)41-28(20-16-18-23-39)33(49)42-29(24-45)37(53)54/h25-29,31-32,45-47H,4-24,38-39H2,1-3H3,(H,40,48)(H,41,51)(H,42,49)(H,43,50)(H,44,52)(H,53,54)/t25-,26-,27+,28+,29+,31+,32+/m1/s1
InChIKey
XLELDISCQSKJES-IPPMYLEBSA-N
Compound name
(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-(tetradecanoylamino)hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

78
Patents

773.52625 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.533526 269.4
[M+Na]+ 796.515468 265.6
[M-H]- 772.518974 270.9
[M+NH4]+ 791.560073 270.3
[M+K]+ 812.489408 263.5
[M+H-H2O]+ 756.523510 249.1
[M+HCOO]- 818.524451 270.8
[M+CH3COO]- 832.540101 306.3
[M+Na-2H]- 794.500916 307.3
[M]+ 773.52570142 298.9
[M]- 773.52679858 298.9
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