CID 25271577

Beta-phenyl-d-phenylalanyl-n-propyl-l-prolinamide

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(C2=CC=CC=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C23H29N3O2/c1-2-15-25-22(27)19-14-9-16-26(19)23(28)21(24)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-21H,2,9,14-16,24H2,1H3,(H,25,27)/t19-,21+/m0/s1
InChIKey
HZKKJPDVZGOOPU-PZJWPPBQSA-N
Compound name
(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-propylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.22598 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.233256 194.5
[M+Na]+ 402.215198 194.6
[M-H]- 378.218704 200.9
[M+NH4]+ 397.259803 204.5
[M+K]+ 418.189138 190.5
[M+H-H2O]+ 362.223240 184.3
[M+HCOO]- 424.224181 212.0
[M+CH3COO]- 438.239831 223.2
[M+Na-2H]- 400.200646 190.6
[M]+ 379.22543142 189.4
[M]- 379.22652858 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.