CID 10652325

N-[1-[[1-[[1-[[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-n,2,4-trimethyldec-9-ynamide

Structural Information

Molecular Formula
C40H57N5O6
SMILES
CC(CCCCC#C)CC(C)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)NC(C)C(=O)N(C)C(C)C(=O)N(C)C(CC2=CC=C(C=C2)OC)C(=O)N
InChI
InChI=1S/C40H57N5O6/c1-10-11-12-14-17-27(2)24-28(3)38(48)45(8)35(26-31-18-15-13-16-19-31)37(47)42-29(4)39(49)43(6)30(5)40(50)44(7)34(36(41)46)25-32-20-22-33(51-9)23-21-32/h1,13,15-16,18-23,27-30,34-35H,11-12,14,17,24-26H2,2-9H3,(H2,41,46)(H,42,47)
InChIKey
BRWIYXLUWTZWGU-UHFFFAOYSA-N
Compound name
N-[1-[[1-[[1-[[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N,2,4-trimethyldec-9-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

703.4309 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 704.43818 270.6
[M+Na]+ 726.42012 291.9
[M-H]- 702.42362 286.3
[M+NH4]+ 721.46472 292.3
[M+K]+ 742.39406 287.2
[M+H-H2O]+ 686.42816 278.2
[M+HCOO]- 748.42910 257.4
[M+CH3COO]- 762.44475 299.2
[M+Na-2H]- 724.40557 266.7
[M]+ 703.43035 265.5
[M]- 703.43145 265.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.