CID 15955304

Tert-butyl n-[(1s,3s,4s)-4-[[(3as,4r,6ar)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-1-benzyl-3-hydroxy-5-phenyl-pentyl]carbamate

Structural Information

Molecular Formula
C30H40N2O7
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O
InChI
InChI=1S/C30H40N2O7/c1-30(2,3)39-29(35)31-22(16-20-10-6-4-7-11-20)18-25(33)24(17-21-12-8-5-9-13-21)32-28(34)38-26-19-37-27-23(26)14-15-36-27/h4-13,22-27,33H,14-19H2,1-3H3,(H,31,35)(H,32,34)/t22-,23-,24-,25-,26-,27+/m0/s1
InChIKey
VSLFBTCZQICUPX-DXSZVSTRSA-N
Compound name
tert-butyl N-[(2S,4S,5S)-5-[[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.28357 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.29085 230.2
[M+Na]+ 563.27279 226.0
[M-H]- 539.27629 238.5
[M+NH4]+ 558.31739 234.2
[M+K]+ 579.24673 227.7
[M+H-H2O]+ 523.28083 222.9
[M+HCOO]- 585.28177 241.1
[M+CH3COO]- 599.29742 248.4
[M+Na-2H]- 561.25824 226.0
[M]+ 540.28302 231.3
[M]- 540.28412 231.3
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.