CID 15955306

[(3as,4r,6ar)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] n-[(1s,2s,4s)-4-[[(3as,4r,6ar)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-1-benzyl-2-hydroxy-5-phenyl-pentyl]carbamate

Structural Information

Molecular Formula
C32H40N2O9
SMILES
C1CO[C@H]2[C@@H]1[C@H](CO2)OC(=O)N[C@@H](CC3=CC=CC=C3)C[C@@H]([C@H](CC4=CC=CC=C4)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6)O
InChI
InChI=1S/C32H40N2O9/c35-26(25(16-21-9-5-2-6-10-21)34-32(37)43-28-19-41-30-24(28)12-14-39-30)17-22(15-20-7-3-1-4-8-20)33-31(36)42-27-18-40-29-23(27)11-13-38-29/h1-10,22-30,35H,11-19H2,(H,33,36)(H,34,37)/t22-,23-,24-,25-,26-,27-,28-,29+,30+/m0/s1
InChIKey
OOHJDEZERJEPJL-FHADRUMNSA-N
Compound name
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3S,5S)-5-[[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.2734 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.28068 229.2
[M+Na]+ 619.26262 223.2
[M-H]- 595.26612 242.7
[M+NH4]+ 614.30722 232.1
[M+K]+ 635.23656 227.9
[M+H-H2O]+ 579.27066 227.1
[M+HCOO]- 641.27160 237.7
[M+CH3COO]- 655.28725 256.1
[M+Na-2H]- 617.24807 220.9
[M]+ 596.27285 230.3
[M]- 596.27395 230.3
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.