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
3
Annotation Hits

0
References

97
Patents

773.52625 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.53353 269.4
[M+Na]+ 796.51547 265.6
[M-H]- 772.51897 270.9
[M+NH4]+ 791.56007 270.3
[M+K]+ 812.48941 263.5
[M+H-H2O]+ 756.52351 249.1
[M+HCOO]- 818.52445 270.8
[M+CH3COO]- 832.54010 306.3
[M+Na-2H]- 794.50092 307.3
[M]+ 773.52570 298.9
[M]- 773.52680 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