CID 477380

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

Structural Information

Molecular Formula
C32H36N2O4
SMILES
C1CC(=O)N([C@H]1CC2=CC=CC=C2)CC(CC(CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
InChI
InChI=1S/C32H36N2O4/c35-27(21-34-26(15-16-30(34)37)18-23-11-5-2-6-12-23)19-25(17-22-9-3-1-4-10-22)32(38)33-31-28-14-8-7-13-24(28)20-29(31)36/h1-14,25-27,29,31,35-36H,15-21H2,(H,33,38)/t25?,26-,27?,29-,31+/m1/s1
InChIKey
VFXWXTTYUYUQCX-ATUYYJNGSA-N
Compound name
2-benzyl-5-[(2R)-2-benzyl-5-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

0
References

0
Patents

512.2675 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.27478 224.2
[M+Na]+ 535.25672 223.5
[M-H]- 511.26022 232.6
[M+NH4]+ 530.30132 230.3
[M+K]+ 551.23066 217.4
[M+H-H2O]+ 495.26476 214.3
[M+HCOO]- 557.26570 236.5
[M+CH3COO]- 571.28135 228.7
[M+Na-2H]- 533.24217 216.4
[M]+ 512.26695 220.3
[M]- 512.26805 220.3
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.