CID 481809

[s-(1r*,2s*)]-n,n-[imiobis[2-hydroxy-1-(phenylmethyl)-3,1-propanediyl]]bisbenzamide

Structural Information

Molecular Formula
C34H37N3O4
SMILES
C1=CC=C(C=C1)C[C@@H]([C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O)O)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C34H37N3O4/c38-31(29(21-25-13-5-1-6-14-25)36-33(40)27-17-9-3-10-18-27)23-35-24-32(39)30(22-26-15-7-2-8-16-26)37-34(41)28-19-11-4-12-20-28/h1-20,29-32,35,38-39H,21-24H2,(H,36,40)(H,37,41)/t29-,30-,31+,32+/m0/s1
InChIKey
INSMZFIEUUFJEA-GASGPIRDSA-N
Compound name
N-[(2S,3R)-4-[[(2R,3S)-3-benzamido-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.2784 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.28568 230.6
[M+Na]+ 574.26762 224.9
[M-H]- 550.27112 237.2
[M+NH4]+ 569.31222 229.8
[M+K]+ 590.24156 220.7
[M+H-H2O]+ 534.27566 218.2
[M+HCOO]- 596.27660 245.4
[M+CH3COO]- 610.29225 254.2
[M+Na-2H]- 572.25307 228.3
[M]+ 551.27785 225.6
[M]- 551.27895 225.6
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.