CID 480356

(3r,3as,6ar or 3s,3ar,6as) hexahydrofuro[2,3-b]furan-3-yl n-((1s,2r)-3-(4-amino-2,2-dimethylbutyl){(4-methoxyphenyl)sulfonyl] amino-1-benzyl-2-hydroxypropyl) carbamate

Structural Information

Molecular Formula
C30H43N3O8S
SMILES
CC(C)(CCN)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=C(C=C4)OC
InChI
InChI=1S/C30H43N3O8S/c1-30(2,14-15-31)20-33(42(36,37)23-11-9-22(38-3)10-12-23)18-26(34)25(17-21-7-5-4-6-8-21)32-29(35)41-27-19-40-28-24(27)13-16-39-28/h4-12,24-28,34H,13-20,31H2,1-3H3,(H,32,35)/t24-,25-,26+,27-,28+/m0/s1
InChIKey
HBMXBGBTDQTZLA-AJIIGFCHSA-N
Compound name
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-amino-2,2-dimethylbutyl)-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

605.2771 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.28438 239.5
[M+Na]+ 628.26632 235.7
[M-H]- 604.26982 248.4
[M+NH4]+ 623.31092 241.6
[M+K]+ 644.24026 238.4
[M+H-H2O]+ 588.27436 233.2
[M+HCOO]- 650.27530 247.6
[M+CH3COO]- 664.29095 263.0
[M+Na-2H]- 626.25177 238.8
[M]+ 605.27655 244.8
[M]- 605.27765 244.8
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.