CID 455985

L-phe(o-1meoco-ibu) oxalamide deriv.

Structural Information

Molecular Formula
C32H40N2O10
SMILES
CC(C)[C@H](C(=O)OC)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O[C@H](C(C)C)C(=O)OC
InChI
InChI=1S/C32H40N2O10/c1-19(2)25(31(39)41-5)43-29(37)23(17-21-13-9-7-10-14-21)33-27(35)28(36)34-24(18-22-15-11-8-12-16-22)30(38)44-26(20(3)4)32(40)42-6/h7-16,19-20,23-26H,17-18H2,1-6H3,(H,33,35)(H,34,36)/t23-,24-,25+,26+/m0/s1
InChIKey
LOSRARZUNWMXGC-QEGGNFSNSA-N
Compound name
methyl (2R)-2-[(2S)-2-[[2-[[(2S)-1-[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]oxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoacetyl]amino]-3-phenylpropanoyl]oxy-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

612.2683 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.27558 225.7
[M+Na]+ 635.25752 243.0
[M-H]- 611.26102 239.3
[M+NH4]+ 630.30212 247.5
[M+K]+ 651.23146 235.5
[M+H-H2O]+ 595.26556 233.4
[M+HCOO]- 657.26650 220.7
[M+CH3COO]- 671.28215 266.8
[M+Na-2H]- 633.24297 231.9
[M]+ 612.26775 224.7
[M]- 612.26885 224.7
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.