CID 333646

Dibenzyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanedioate

Structural Information

Molecular Formula
C28H36N2O7
SMILES
CC(C)C(C(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C28H36N2O7/c1-19(2)24(30-27(34)37-28(3,4)5)25(32)29-22(26(33)36-18-21-14-10-7-11-15-21)16-23(31)35-17-20-12-8-6-9-13-20/h6-15,19,22,24H,16-18H2,1-5H3,(H,29,32)(H,30,34)
InChIKey
RRRJTMPSYKCMGZ-UHFFFAOYSA-N
Compound name
dibenzyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.25226 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.25954 219.8
[M+Na]+ 535.24148 224.1
[M+NH4]+ 530.28608 220.7
[M+K]+ 551.21542 223.0
[M-H]- 511.24498 219.2
[M+Na-2H]- 533.22693 221.9
[M]+ 512.25171 219.5
[M]- 512.25281 219.5
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.