CID 4248502

Carbobenzyloxy-l-threonyl-l-phenylalaninamide

Structural Information

Molecular Formula
C21H25N3O5
SMILES
CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C21H25N3O5/c1-14(25)18(24-21(28)29-13-16-10-6-3-7-11-16)20(27)23-17(19(22)26)12-15-8-4-2-5-9-15/h2-11,14,17-18,25H,12-13H2,1H3,(H2,22,26)(H,23,27)(H,24,28)
InChIKey
UYCSCAFSVRPVEP-UHFFFAOYSA-N
Compound name
benzyl N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

399.1794 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.18668 195.7
[M+Na]+ 422.16862 194.7
[M-H]- 398.17212 199.0
[M+NH4]+ 417.21322 203.1
[M+K]+ 438.14256 193.6
[M+H-H2O]+ 382.17666 186.0
[M+HCOO]- 444.17760 214.2
[M+CH3COO]- 458.19325 227.2
[M+Na-2H]- 420.15407 193.1
[M]+ 399.17885 193.2
[M]- 399.17995 193.2
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

patents stripe