CID 477368

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

Structural Information

Molecular Formula
C35H40N2O4
SMILES
C=CCC1C[C@@H](N(C1=O)CC(CC(CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CC=CC=C5
InChI
InChI=1S/C35H40N2O4/c1-2-11-27-20-29(19-25-14-7-4-8-15-25)37(35(27)41)23-30(38)21-28(18-24-12-5-3-6-13-24)34(40)36-33-31-17-10-9-16-26(31)22-32(33)39/h2-10,12-17,27-30,32-33,38-39H,1,11,18-23H2,(H,36,40)/t27?,28?,29-,30?,32+,33-/m0/s1
InChIKey
SKJACPSSQDEFPU-RKEKLDJRSA-N
Compound name
2-benzyl-5-[(5R)-5-benzyl-2-oxo-3-prop-2-enylpyrrolidin-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

1
References

0
Patents

552.2988 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.30608 236.9
[M+Na]+ 575.28802 235.9
[M-H]- 551.29152 245.1
[M+NH4]+ 570.33262 241.6
[M+K]+ 591.26196 228.9
[M+H-H2O]+ 535.29606 226.8
[M+HCOO]- 597.29700 248.3
[M+CH3COO]- 611.31265 251.5
[M+Na-2H]- 573.27347 226.9
[M]+ 552.29825 233.7
[M]- 552.29935 233.7
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.