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]+ 380.23326 194.5
[M+Na]+ 402.21520 194.6
[M-H]- 378.21870 200.9
[M+NH4]+ 397.25980 204.5
[M+K]+ 418.18914 190.5
[M+H-H2O]+ 362.22324 184.3
[M+HCOO]- 424.22418 212.0
[M+CH3COO]- 438.23983 223.2
[M+Na-2H]- 400.20065 190.6
[M]+ 379.22543 189.4
[M]- 379.22653 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.