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]+ 333.202006 177.6
[M+Na]+ 355.183948 179.4
[M-H]- 331.187454 175.8
[M+NH4]+ 350.228553 192.2
[M+K]+ 371.157888 181.5
[M+H-H2O]+ 315.191990 172.2
[M+HCOO]- 377.192931 188.8
[M+CH3COO]- 391.208581 213.2
[M+Na-2H]- 353.169396 176.9
[M]+ 332.19418142 180.7
[M]- 332.19527858 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.