CID 455987

4meo-l-phe(o-ibu) oxalamide deriv.

Structural Information

Molecular Formula
C30H40N2O8
SMILES
CC(C)COC(=O)[C@H](CC1=CC=C(C=C1)OC)NC(=O)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)OCC(C)C
InChI
InChI=1S/C30H40N2O8/c1-19(2)17-39-29(35)25(15-21-7-11-23(37-5)12-8-21)31-27(33)28(34)32-26(30(36)40-18-20(3)4)16-22-9-13-24(38-6)14-10-22/h7-14,19-20,25-26H,15-18H2,1-6H3,(H,31,33)(H,32,34)/t25-,26-/m0/s1
InChIKey
QOJSWYLJAVTKKR-UIOOFZCWSA-N
Compound name
2-methylpropyl (2S)-3-(4-methoxyphenyl)-2-[[2-[[(2S)-3-(4-methoxyphenyl)-1-(2-methylpropoxy)-1-oxopropan-2-yl]amino]-2-oxoacetyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.27844 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.28572 236.7
[M+Na]+ 579.26766 234.1
[M-H]- 555.27116 241.0
[M+NH4]+ 574.31226 239.1
[M+K]+ 595.24160 235.6
[M+H-H2O]+ 539.27570 226.1
[M+HCOO]- 601.27664 251.9
[M+CH3COO]- 615.29229 259.0
[M+Na-2H]- 577.25311 227.8
[M]+ 556.27789 243.8
[M]- 556.27899 243.8
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.