CID 5493698

N-[(1s,2s,4s,7s)-1-benzyl-2-hydroxy-4-isobutyl-8-methyl-6-oxo-7-(2-oxohexahydropyrimidin-1-yl)nonyl]-2-(2,6-dimethylphenoxy)acetamide

Structural Information

Molecular Formula
C35H51N3O5
SMILES
CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC(C)C)CC(=O)[C@H](C(C)C)N3CCCNC3=O)O
InChI
InChI=1S/C35H51N3O5/c1-23(2)18-28(21-31(40)33(24(3)4)38-17-11-16-36-35(38)42)20-30(39)29(19-27-14-8-7-9-15-27)37-32(41)22-43-34-25(5)12-10-13-26(34)6/h7-10,12-15,23-24,28-30,33,39H,11,16-22H2,1-6H3,(H,36,42)(H,37,41)/t28-,29-,30-,33-/m0/s1
InChIKey
DSRKHMPNULBHST-ZGDGUDBWSA-N
Compound name
2-(2,6-dimethylphenoxy)-N-[(2S,3S,5S,8S)-3-hydroxy-9-methyl-5-(2-methylpropyl)-7-oxo-8-(2-oxo-1,3-diazinan-1-yl)-1-phenyldecan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

593.3829 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.39018 245.8
[M+Na]+ 616.37212 240.0
[M-H]- 592.37562 246.7
[M+NH4]+ 611.41672 242.5
[M+K]+ 632.34606 237.1
[M+H-H2O]+ 576.38016 234.5
[M+HCOO]- 638.38110 249.1
[M+CH3COO]- 652.39675 264.4
[M+Na-2H]- 614.35757 233.1
[M]+ 593.38235 243.3
[M]- 593.38345 243.3
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.