CID 481889

2-trimethylsilylethyl n-[(2r,3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]-n-[(2r,3s)-2-hydroxy-3-[(2-hydroxy-1,1-dimethyl-ethoxy)carbonylamino]-4-phenyl-butyl]carbamate

Structural Information

Molecular Formula
C36H57N3O9Si
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN(C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)CO)O)C(=O)OCC[Si](C)(C)C)O
InChI
InChI=1S/C36H57N3O9Si/c1-35(2,3)47-32(43)37-28(21-26-15-11-9-12-16-26)30(41)23-39(34(45)46-19-20-49(6,7)8)24-31(42)29(22-27-17-13-10-14-18-27)38-33(44)48-36(4,5)25-40/h9-18,28-31,40-42H,19-25H2,1-8H3,(H,37,43)(H,38,44)/t28-,29-,30+,31+/m0/s1
InChIKey
OFNAVAIDKACPIT-SYQUUIDJSA-N
Compound name
2-trimethylsilylethyl N-[(2R,3S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-N-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

703.3864 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 704.39368 229.6
[M+Na]+ 726.37562 241.5
[M-H]- 702.37912 241.9
[M+NH4]+ 721.42022 242.6
[M+K]+ 742.34956 238.4
[M+H-H2O]+ 686.38366 227.7
[M+HCOO]- 748.38460 227.2
[M+CH3COO]- 762.40025 279.4
[M+Na-2H]- 724.36107 220.4
[M]+ 703.38585 227.9
[M]- 703.38695 227.9
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.