CID 477366

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

Structural Information

Molecular Formula
C34H39N3O4
SMILES
C=CCN1C[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/C34H39N3O4/c1-2-17-36-22-28(19-25-13-7-4-8-14-25)37(34(36)41)23-29(38)20-27(18-24-11-5-3-6-12-24)33(40)35-32-30-16-10-9-15-26(30)21-31(32)39/h2-16,27-29,31-32,38-39H,1,17-23H2,(H,35,40)/t27?,28-,29?,31+,32-/m0/s1
InChIKey
DMPSUOJYCYWFKV-OCVPVFJUSA-N
Compound name
2-benzyl-5-[(5S)-5-benzyl-2-oxo-3-prop-2-enylimidazolidin-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

553.29407 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.30135 235.4
[M+Na]+ 576.28329 234.8
[M-H]- 552.28679 242.6
[M+NH4]+ 571.32789 238.7
[M+K]+ 592.25723 227.8
[M+H-H2O]+ 536.29133 224.6
[M+HCOO]- 598.29227 245.9
[M+CH3COO]- 612.30792 251.2
[M+Na-2H]- 574.26874 226.1
[M]+ 553.29352 232.4
[M]- 553.29462 232.4
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.