CID 5165047

79642-99-2

Structural Information

Molecular Formula
C31H36N4O7
SMILES
CC(C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3C(=C2)OC)NC(=O)CCCC(=O)O
InChI
InChI=1S/C31H36N4O7/c1-19(32-27(36)14-9-15-28(37)38)29(39)33-20(2)30(40)35-25(16-21-10-5-4-6-11-21)31(41)34-23-17-22-12-7-8-13-24(22)26(18-23)42-3/h4-8,10-13,17-20,25H,9,14-16H2,1-3H3,(H,32,36)(H,33,39)(H,34,41)(H,35,40)(H,37,38)
InChIKey
QFJWKXYGBSQMDX-UHFFFAOYSA-N
Compound name
5-[[1-[[1-[[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.2584 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.26568 234.2
[M+Na]+ 599.24762 237.2
[M+NH4]+ 594.29222 234.1
[M+K]+ 615.22156 235.8
[M-H]- 575.25112 234.8
[M+Na-2H]- 597.23307 234.9
[M]+ 576.25785 233.7
[M]- 576.25895 233.7
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

No patent data available for this compound.