CID 145867455

2375248-47-6

Structural Information

Molecular Formula
C15H28N2O6
SMILES
C[C@@H]([C@H](C(=O)O)NC(=O)CNC(=O)OC(C)(C)C)OC(C)(C)C
InChI
InChI=1S/C15H28N2O6/c1-9(22-14(2,3)4)11(12(19)20)17-10(18)8-16-13(21)23-15(5,6)7/h9,11H,8H2,1-7H3,(H,16,21)(H,17,18)(H,19,20)/t9-,11+/m0/s1
InChIKey
DBVOKXCIQWXFIN-GXSJLCMTSA-N
Compound name
(2R,3S)-3-[(2-methylpropan-2-yl)oxy]-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.19473 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20201 177.0
[M+Na]+ 355.18395 178.6
[M+NH4]+ 350.22855 191.7
[M+K]+ 371.15789 180.5
[M-H]- 331.18745 170.8
[M+Na-2H]- 353.16940 173.9
[M]+ 332.19418 174.6
[M]- 332.19528 174.6
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.