CID 15956081

[(3as,4r,6ar)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] n-[(1s,2r)-1-benzyl-3-[(1,3-dimethyl-2-oxo-indolin-3-yl)-isobutyl-amino]-2-hydroxy-propyl]carbamate

Structural Information

Molecular Formula
C31H41N3O6
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)C4(C5=CC=CC=C5N(C4=O)C)C
InChI
InChI=1S/C31H41N3O6/c1-20(2)17-34(31(3)23-12-8-9-13-25(23)33(4)29(31)36)18-26(35)24(16-21-10-6-5-7-11-21)32-30(37)40-27-19-39-28-22(27)14-15-38-28/h5-13,20,22,24,26-28,35H,14-19H2,1-4H3,(H,32,37)/t22-,24-,26+,27-,28+,31?/m0/s1
InChIKey
GCGBTQJHRQVAMC-RSBXMEAJSA-N
Compound name
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(1,3-dimethyl-2-oxoindol-3-yl)-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

551.29956 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.30684 233.2
[M+Na]+ 574.28878 232.2
[M-H]- 550.29228 243.5
[M+NH4]+ 569.33338 241.3
[M+K]+ 590.26272 233.0
[M+H-H2O]+ 534.29682 227.2
[M+HCOO]- 596.29776 244.2
[M+CH3COO]- 610.31341 256.4
[M+Na-2H]- 572.27423 225.5
[M]+ 551.29901 236.1
[M]- 551.30011 236.1
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.