CID 3008184

(2r)-2-[1-[(2r)-1-benzyloxycarbonylpyrrolidin-2-yl]vinylamino]-3-phenyl-propanoic acid

Structural Information

Molecular Formula
C23H26N2O4
SMILES
C=C([C@H]1CCCN1C(=O)OCC2=CC=CC=C2)N[C@H](CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C23H26N2O4/c1-17(24-20(22(26)27)15-18-9-4-2-5-10-18)21-13-8-14-25(21)23(28)29-16-19-11-6-3-7-12-19/h2-7,9-12,20-21,24H,1,8,13-16H2,(H,26,27)/t20-,21-/m1/s1
InChIKey
JQXFWAKTOSKQLT-NHCUHLMSSA-N
Compound name
(2R)-3-phenyl-2-[1-[(2R)-1-phenylmethoxycarbonylpyrrolidin-2-yl]ethenylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.18927 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19655 195.6
[M+Na]+ 417.17849 195.9
[M-H]- 393.18199 201.2
[M+NH4]+ 412.22309 204.5
[M+K]+ 433.15243 192.1
[M+H-H2O]+ 377.18653 185.7
[M+HCOO]- 439.18747 211.7
[M+CH3COO]- 453.20312 219.8
[M+Na-2H]- 415.16394 191.8
[M]+ 394.18872 192.3
[M]- 394.18982 192.3
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.