CID 475488

[(3s)-tetrahydrofuran-3-yl] n-benzyl-n-[3-[benzyl-[(3s)-tetrahydrofuran-3-yl]oxycarbonyl-amino]-2-hydroxy-1-phenylsulfanyl-propyl]carbamate

Structural Information

Molecular Formula
C33H38N2O7S
SMILES
C1COC[C@H]1OC(=O)N(CC2=CC=CC=C2)CC(C(N(CC3=CC=CC=C3)C(=O)O[C@H]4CCOC4)SC5=CC=CC=C5)O
InChI
InChI=1S/C33H38N2O7S/c36-30(22-34(20-25-10-4-1-5-11-25)32(37)41-27-16-18-39-23-27)31(43-29-14-8-3-9-15-29)35(21-26-12-6-2-7-13-26)33(38)42-28-17-19-40-24-28/h1-15,27-28,30-31,36H,16-24H2/t27-,28-,30?,31?/m0/s1
InChIKey
OAZQPKQKHKOJII-XUWRFTPYSA-N
Compound name
[(3S)-oxolan-3-yl] N-benzyl-N-[3-[benzyl-[(3S)-oxolan-3-yl]oxycarbonylamino]-2-hydroxy-1-phenylsulfanylpropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

606.24 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.24728 242.1
[M+Na]+ 629.22922 236.6
[M-H]- 605.23272 257.3
[M+NH4]+ 624.27382 243.0
[M+K]+ 645.20316 239.1
[M+H-H2O]+ 589.23726 233.2
[M+HCOO]- 651.23820 252.8
[M+CH3COO]- 665.25385 258.2
[M+Na-2H]- 627.21467 235.3
[M]+ 606.23945 244.4
[M]- 606.24055 244.4
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.