CID 474841

N-[(1s,2s,3s,4s)-1-benzyl-2,3-dihydroxy-4-[(2-phenoxyacetyl)amino]-5-phenyl-pentyl]-2-phenoxy-acetamide

Structural Information

Molecular Formula
C34H36N2O6
SMILES
C1=CC=C(C=C1)C[C@@H]([C@@H]([C@H]([C@H](CC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3)O)O)NC(=O)COC4=CC=CC=C4
InChI
InChI=1S/C34H36N2O6/c37-31(23-41-27-17-9-3-10-18-27)35-29(21-25-13-5-1-6-14-25)33(39)34(40)30(22-26-15-7-2-8-16-26)36-32(38)24-42-28-19-11-4-12-20-28/h1-20,29-30,33-34,39-40H,21-24H2,(H,35,37)(H,36,38)/t29-,30-,33-,34-/m0/s1
InChIKey
OIKWSUBBHUSRNM-ANFUHZJESA-N
Compound name
N-[(2S,3S,4S,5S)-3,4-dihydroxy-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

568.2573 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.26458 234.0
[M+Na]+ 591.24652 228.6
[M-H]- 567.25002 240.6
[M+NH4]+ 586.29112 232.5
[M+K]+ 607.22046 225.9
[M+H-H2O]+ 551.25456 221.2
[M+HCOO]- 613.25550 248.0
[M+CH3COO]- 627.27115 253.1
[M+Na-2H]- 589.23197 231.2
[M]+ 568.25675 232.1
[M]- 568.25785 232.2
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.