CID 15956079

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

Structural Information

Molecular Formula
C32H41N3O6
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=C5NC4=O)CC=C
InChI
InChI=1S/C32H41N3O6/c1-4-15-32(24-12-8-9-13-25(24)33-30(32)37)35(18-21(2)3)19-27(36)26(17-22-10-6-5-7-11-22)34-31(38)41-28-20-40-29-23(28)14-16-39-29/h4-13,21,23,26-29,36H,1,14-20H2,2-3H3,(H,33,37)(H,34,38)/t23-,26-,27+,28-,29+,32?/m0/s1
InChIKey
JETADCIDVOPMFX-SXUHKEFISA-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-[2-methylpropyl-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

563.29956 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.30684 235.6
[M+Na]+ 586.28878 233.1
[M-H]- 562.29228 244.0
[M+NH4]+ 581.33338 242.1
[M+K]+ 602.26272 232.6
[M+H-H2O]+ 546.29682 229.4
[M+HCOO]- 608.29776 245.0
[M+CH3COO]- 622.31341 255.4
[M+Na-2H]- 584.27423 227.8
[M]+ 563.29901 236.0
[M]- 563.30011 236.0
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.