CID 464471

(2s,3r,4s,5s)-2,5-bis[n-(phenylacetyl)amino]-3,4-dihydroxy-1,6-diphenyl hexane

Structural Information

Molecular Formula
C34H36N2O4
SMILES
C1=CC=C(C=C1)C[C@H]([C@H]([C@H]([C@H](CC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3)O)O)NC(=O)CC4=CC=CC=C4
InChI
InChI=1S/C34H36N2O4/c37-31(23-27-17-9-3-10-18-27)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)24-28-19-11-4-12-20-28/h1-20,29-30,33-34,39-40H,21-24H2,(H,35,37)(H,36,38)/t29-,30+,33-,34+
InChIKey
AQCCHTOZAPIXRZ-JSUIZOTQSA-N
Compound name
N-[(2S,3S,4R,5R)-3,4-dihydroxy-1,6-diphenyl-5-[(2-phenylacetyl)amino]hexan-2-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

536.2675 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.27478 230.0
[M+Na]+ 559.25672 225.2
[M-H]- 535.26022 236.6
[M+NH4]+ 554.30132 230.1
[M+K]+ 575.23066 220.5
[M+H-H2O]+ 519.26476 217.7
[M+HCOO]- 581.26570 243.7
[M+CH3COO]- 595.28135 248.9
[M+Na-2H]- 557.24217 226.6
[M]+ 536.26695 225.5
[M]- 536.26805 225.5
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.