CID 5742970

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

Structural Information

Molecular Formula
C33H38N2O7
SMILES
C1CO[C@H]2[C@@H]1[C@H](CO2)OC(=O)N[C@@H](CC3=CC=CC=C3)[C@H](C[C@H](CC4=CC=CC=C4)NC(=O)COC5=CC=CC=C5)O
InChI
InChI=1S/C33H38N2O7/c36-29(20-25(18-23-10-4-1-5-11-23)34-31(37)22-40-26-14-8-3-9-15-26)28(19-24-12-6-2-7-13-24)35-33(38)42-30-21-41-32-27(30)16-17-39-32/h1-15,25,27-30,32,36H,16-22H2,(H,34,37)(H,35,38)/t25-,27-,28-,29-,30-,32+/m0/s1
InChIKey
PUZGZFDZPYTBGL-CCWZFZQHSA-N
Compound name
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3S,5S)-3-hydroxy-5-[(2-phenoxyacetyl)amino]-1,6-diphenylhexan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

574.2679 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.27518 233.6
[M+Na]+ 597.25712 228.4
[M-H]- 573.26062 244.5
[M+NH4]+ 592.30172 235.1
[M+K]+ 613.23106 229.0
[M+H-H2O]+ 557.26516 224.3
[M+HCOO]- 619.26610 246.1
[M+CH3COO]- 633.28175 253.8
[M+Na-2H]- 595.24257 228.3
[M]+ 574.26735 233.5
[M]- 574.26845 233.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.