CID 45049833

127861-61-4

Structural Information

Molecular Formula
C22H25N3O4
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C22H25N3O4/c23-20(26)18(14-16-8-3-1-4-9-16)24-21(27)19-12-7-13-25(19)22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H2,23,26)(H,24,27)/t18-,19-/m0/s1
InChIKey
OZXJJHBJABVISZ-OALUTQOASA-N
Compound name
benzyl (2S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1845 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19178 195.2
[M+Na]+ 418.17372 202.5
[M+NH4]+ 413.21832 199.5
[M+K]+ 434.14766 200.1
[M-H]- 394.17722 198.4
[M+Na-2H]- 416.15917 200.2
[M]+ 395.18395 196.5
[M]- 395.18505 196.5
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.