CID 3011317

Acetamide, n-[(1s,2s,4s)-2-hydroxy-4-[(2-phenoxyacetyl)amino]-5-phenyl-1-(phenylmethyl)pentyl]-2-phenoxy-

Structural Information

Molecular Formula
C34H36N2O5
SMILES
C1=CC=C(C=C1)C[C@@H](C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3)O)NC(=O)COC4=CC=CC=C4
InChI
InChI=1S/C34H36N2O5/c37-32(31(22-27-15-7-2-8-16-27)36-34(39)25-41-30-19-11-4-12-20-30)23-28(21-26-13-5-1-6-14-26)35-33(38)24-40-29-17-9-3-10-18-29/h1-20,28,31-32,37H,21-25H2,(H,35,38)(H,36,39)/t28-,31-,32-/m0/s1
InChIKey
ZWUUOFNXCYGCCK-MHDHXZMLSA-N
Compound name
N-[(2S,4S,5S)-4-hydroxy-5-[(2-phenoxyacetyl)amino]-1,6-diphenylhexan-2-yl]-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

552.26245 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.26973 233.6
[M+Na]+ 575.25167 229.2
[M-H]- 551.25517 241.4
[M+NH4]+ 570.29627 233.6
[M+K]+ 591.22561 225.3
[M+H-H2O]+ 535.25971 220.3
[M+HCOO]- 597.26065 249.8
[M+CH3COO]- 611.27630 252.1
[M+Na-2H]- 573.23712 231.7
[M]+ 552.26190 232.6
[M]- 552.26300 232.6
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.