CID 480426

(3r,3as,6ar)hexahydrofuro[2,3-b]furan-3-yl n-[(1s,2r)-3-((6-amino-2,2-dimethylhexyl)[3-(methylamino)phenyl]sulfonylamino)-1-benzyl-2-hydroxypropyl)carbamate

Structural Information

Molecular Formula
C32H48N4O7S
SMILES
CC(C)(CCCCN)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=CC(=C4)NC
InChI
InChI=1S/C32H48N4O7S/c1-32(2,15-7-8-16-33)22-36(44(39,40)25-13-9-12-24(19-25)34-3)20-28(37)27(18-23-10-5-4-6-11-23)35-31(38)43-29-21-42-30-26(29)14-17-41-30/h4-6,9-13,19,26-30,34,37H,7-8,14-18,20-22,33H2,1-3H3,(H,35,38)/t26-,27-,28+,29-,30+/m0/s1
InChIKey
AOZHSLLPBXGOFY-FVYAUOJASA-N
Compound name
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(6-amino-2,2-dimethylhexyl)-[3-(methylamino)phenyl]sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

632.32434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.33162 246.5
[M+Na]+ 655.31356 241.2
[M-H]- 631.31706 254.8
[M+NH4]+ 650.35816 247.3
[M+K]+ 671.28750 243.0
[M+H-H2O]+ 615.32160 239.5
[M+HCOO]- 677.32254 254.7
[M+CH3COO]- 691.33819 271.7
[M+Na-2H]- 653.29901 245.7
[M]+ 632.32379 250.3
[M]- 632.32489 250.3
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.