CID 477373

2-benzyl-5-((r)-3,5-dibenzyl-2-oxo-pyrrolidin-1-yl)-4-hydroxy-pentanoic acid ((1s,2r)-2-hydroxy-indan-1-yl)-amide

Structural Information

Molecular Formula
C39H42N2O4
SMILES
C1[C@@H](N(C(=O)C1CC2=CC=CC=C2)CC(CC(CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O)CC6=CC=CC=C6
InChI
InChI=1S/C39H42N2O4/c42-34(26-41-33(22-29-16-8-3-9-17-29)23-32(39(41)45)21-28-14-6-2-7-15-28)24-31(20-27-12-4-1-5-13-27)38(44)40-37-35-19-11-10-18-30(35)25-36(37)43/h1-19,31-34,36-37,42-43H,20-26H2,(H,40,44)/t31?,32?,33-,34?,36+,37-/m0/s1
InChIKey
JMCYOVXEMFWTCO-ULKGBZTHSA-N
Compound name
2-benzyl-5-[(5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

602.31445 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.32173 245.0
[M+Na]+ 625.30367 242.7
[M-H]- 601.30717 255.8
[M+NH4]+ 620.34827 246.8
[M+K]+ 641.27761 235.8
[M+H-H2O]+ 585.31171 233.5
[M+HCOO]- 647.31265 255.8
[M+CH3COO]- 661.32830 247.6
[M+Na-2H]- 623.28912 235.2
[M]+ 602.31390 240.9
[M]- 602.31500 240.9
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.