CID 9575139

(3r,3as,6ar)-hexahydrofuro [2,3-b] furan-3-yl n-((1s,2r)-1-benzyl-3-(2,2-dimethyl-5-hydroxyiminohexyl) [(4-methoxyphenyl) sulfonyl] amino-2-hydroxypropyl) carbamate

Structural Information

Molecular Formula
C32H45N3O9S
SMILES
C/C(=N/O)/CCC(C)(C)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/C32H45N3O9S/c1-22(34-38)14-16-32(2,3)21-35(45(39,40)25-12-10-24(41-4)11-13-25)19-28(36)27(18-23-8-6-5-7-9-23)33-31(37)44-29-20-43-30-26(29)15-17-42-30/h5-13,26-30,36,38H,14-21H2,1-4H3,(H,33,37)/b34-22-/t26-,27-,28+,29-,30+/m0/s1
InChIKey
RADXODZGLWMOII-OIOIZJRQSA-N
Compound name
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[[(5Z)-5-hydroxyimino-2,2-dimethylhexyl]-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

647.28766 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.29494 248.7
[M+Na]+ 670.27688 243.5
[M-H]- 646.28038 257.8
[M+NH4]+ 665.32148 249.1
[M+K]+ 686.25082 247.3
[M+H-H2O]+ 630.28492 242.5
[M+HCOO]- 692.28586 256.1
[M+CH3COO]- 706.30151 270.7
[M+Na-2H]- 668.26233 248.0
[M]+ 647.28711 255.5
[M]- 647.28821 255.5
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.