CID 3011315

Lopinavir diamide

Structural Information

Molecular Formula
C38H44N2O5
SMILES
CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)COC4=C(C=CC=C4C)C)O
InChI
InChI=1S/C38H44N2O5/c1-26-13-11-14-27(2)37(26)44-24-35(42)39-32(21-30-17-7-5-8-18-30)23-34(41)33(22-31-19-9-6-10-20-31)40-36(43)25-45-38-28(3)15-12-16-29(38)4/h5-20,32-34,41H,21-25H2,1-4H3,(H,39,42)(H,40,43)/t32-,33-,34-/m0/s1
InChIKey
GSGYWFIAIGBFSD-AFEGWXKPSA-N
Compound name
2-(2,6-dimethylphenoxy)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

608.325 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.33228 253.7
[M+Na]+ 631.31422 250.9
[M-H]- 607.31772 262.3
[M+NH4]+ 626.35882 252.5
[M+K]+ 647.28816 247.1
[M+H-H2O]+ 591.32226 240.1
[M+HCOO]- 653.32320 268.4
[M+CH3COO]- 667.33885 268.5
[M+Na-2H]- 629.29967 246.7
[M]+ 608.32445 255.7
[M]- 608.32555 255.7
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.