CID 464287

153183-64-3

Structural Information

Molecular Formula
C35H36N4O7
SMILES
C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC(=CC=C3)C(=O)NO)CC4=CC(=CC=C4)C(=O)NO)CC5=CC=CC=C5)O)O
InChI
InChI=1S/C35H36N4O7/c40-31-29(19-23-9-3-1-4-10-23)38(21-25-13-7-15-27(17-25)33(42)36-45)35(44)39(22-26-14-8-16-28(18-26)34(43)37-46)30(32(31)41)20-24-11-5-2-6-12-24/h1-18,29-32,40-41,45-46H,19-22H2,(H,36,42)(H,37,43)/t29-,30-,31+,32+/m1/s1
InChIKey
SDULFQOGIXPXRD-ZRTHHSRSSA-N
Compound name
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[[3-(hydroxycarbamoyl)phenyl]methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

624.2584 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.26568 253.8
[M+Na]+ 647.24762 252.9
[M-H]- 623.25112 262.0
[M+NH4]+ 642.29222 248.3
[M+K]+ 663.22156 255.0
[M+H-H2O]+ 607.25566 240.4
[M+HCOO]- 669.25660 262.9
[M+CH3COO]- 683.27225 261.8
[M+Na-2H]- 645.23307 248.4
[M]+ 624.25785 247.2
[M]- 624.25895 247.2
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.