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 177.6
[M+Na]+ 355.18395 179.4
[M-H]- 331.18745 175.8
[M+NH4]+ 350.22855 192.2
[M+K]+ 371.15789 181.5
[M+H-H2O]+ 315.19199 172.2
[M+HCOO]- 377.19293 188.8
[M+CH3COO]- 391.20858 213.2
[M+Na-2H]- 353.16940 176.9
[M]+ 332.19418 180.7
[M]- 332.19528 180.7
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.