CID 477381

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

Structural Information

Molecular Formula
C38H46N2O4
SMILES
C1CCC(C1)CC2C[C@@H](N(C2=O)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/C38H46N2O4/c41-33(25-40-32(21-28-13-5-2-6-14-28)22-31(38(40)44)20-27-15-7-8-16-27)23-30(19-26-11-3-1-4-12-26)37(43)39-36-34-18-10-9-17-29(34)24-35(36)42/h1-6,9-14,17-18,27,30-33,35-36,41-42H,7-8,15-16,19-25H2,(H,39,43)/t30?,31?,32-,33?,35+,36-/m0/s1
InChIKey
IPGFYDWMALGQOA-UCJPZAKDSA-N
Compound name
2-benzyl-5-[(5R)-5-benzyl-3-(cyclopentylmethyl)-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

0
References

0
Patents

594.34576 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.35304 242.4
[M+Na]+ 617.33498 238.5
[M-H]- 593.33848 253.4
[M+NH4]+ 612.37958 246.6
[M+K]+ 633.30892 232.5
[M+H-H2O]+ 577.34302 233.0
[M+HCOO]- 639.34396 251.9
[M+CH3COO]- 653.35961 244.9
[M+Na-2H]- 615.32043 228.8
[M]+ 594.34521 236.6
[M]- 594.34631 236.6
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.