CID 475250

N-[(1s,2r)-4-[acetyl-[(1s)-1-benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl]amino]-1-benzyl-2-hydroxy-butyl]-3-hydroxy-2-methyl-benzamide

Structural Information

Molecular Formula
C34H41N3O5
SMILES
CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CCN([C@@H](CC3=CC=CC=C3)C(=O)N4CCCC4)C(=O)C)O
InChI
InChI=1S/C34H41N3O5/c1-24-28(16-11-17-31(24)39)33(41)35-29(22-26-12-5-3-6-13-26)32(40)18-21-37(25(2)38)30(23-27-14-7-4-8-15-27)34(42)36-19-9-10-20-36/h3-8,11-17,29-30,32,39-40H,9-10,18-23H2,1-2H3,(H,35,41)/t29-,30-,32+/m0/s1
InChIKey
CCURHNYXGUMDDH-LHHUKBANSA-N
Compound name
N-[(2S,3R)-5-[acetyl-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]amino]-3-hydroxy-1-phenylpentan-2-yl]-3-hydroxy-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

571.3046 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.31188 238.0
[M+Na]+ 594.29382 232.9
[M-H]- 570.29732 245.6
[M+NH4]+ 589.33842 238.4
[M+K]+ 610.26776 230.6
[M+H-H2O]+ 554.30186 226.4
[M+HCOO]- 616.30280 249.6
[M+CH3COO]- 630.31845 258.4
[M+Na-2H]- 592.27927 228.9
[M]+ 571.30405 235.1
[M]- 571.30515 235.1
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.