CID 510536

2-[5-[[(1s)-1-benzyloxycarbonyl-2-methyl-propyl]carbamoyl]-1h-imidazole-4-carbonyl]oxyethyl 5-[[(1s)-1-benzyloxycarbonyl-2-methyl-propyl]carbamoyl]-1h-imidazole-4-carboxylate

Structural Information

Molecular Formula
C36H40N6O10
SMILES
CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)OCCOC(=O)C3=C(N=CN3)C(=O)N[C@@H](C(C)C)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C36H40N6O10/c1-21(2)25(33(45)51-17-23-11-7-5-8-12-23)41-31(43)27-29(39-19-37-27)35(47)49-15-16-50-36(48)30-28(38-20-40-30)32(44)42-26(22(3)4)34(46)52-18-24-13-9-6-10-14-24/h5-14,19-22,25-26H,15-18H2,1-4H3,(H,37,39)(H,38,40)(H,41,43)(H,42,44)/t25-,26-/m0/s1
InChIKey
SVNSZDRYNRZIQO-UIOOFZCWSA-N
Compound name
2-[4-[[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]oxyethyl 4-[[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]carbamoyl]-1H-imidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

716.2806 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.28788 241.4
[M+Na]+ 739.26982 245.9
[M-H]- 715.27332 242.4
[M+NH4]+ 734.31442 244.1
[M+K]+ 755.24376 237.1
[M+H-H2O]+ 699.27786 217.9
[M+HCOO]- 761.27880 245.4
[M+CH3COO]- 775.29445 276.9
[M+Na-2H]- 737.25527 252.1
[M]+ 716.28005 274.9
[M]- 716.28115 274.9
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.