CID 15949467

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

Structural Information

Molecular Formula
C30H39N3O6
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)C
InChI
InChI=1S/C30H39N3O6/c1-19(2)16-33(30(3)22-11-7-8-12-23(22)31-28(30)35)17-25(34)24(15-20-9-5-4-6-10-20)32-29(36)39-26-18-38-27-21(26)13-14-37-27/h4-12,19,21,24-27,34H,13-18H2,1-3H3,(H,31,35)(H,32,36)/t21-,24-,25+,26-,27+,30?/m0/s1
InChIKey
TVXXCEMEGNEGDU-TZFCQGSCSA-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-[(3-methyl-2-oxo-1H-indol-3-yl)-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

537.2839 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.29118 227.6
[M+Na]+ 560.27312 225.8
[M-H]- 536.27662 236.5
[M+NH4]+ 555.31772 235.4
[M+K]+ 576.24706 226.2
[M+H-H2O]+ 520.28116 221.7
[M+HCOO]- 582.28210 237.6
[M+CH3COO]- 596.29775 250.4
[M+Na-2H]- 558.25857 220.8
[M]+ 537.28335 228.2
[M]- 537.28445 228.2
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.