CID 481184

[(3s)-tetrahydrofuran-3-yl] n-[(2s)-3-[cyclopentylmethyl-(4-hydroxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]-n-phenethyl-carbamate

Structural Information

Molecular Formula
C28H38N2O7S
SMILES
C1CCC(C1)CN(C[C@H](CN(CCC2=CC=CC=C2)C(=O)O[C@H]3CCOC3)O)S(=O)(=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C28H38N2O7S/c31-24-10-12-27(13-11-24)38(34,35)30(18-23-8-4-5-9-23)20-25(32)19-29(16-14-22-6-2-1-3-7-22)28(33)37-26-15-17-36-21-26/h1-3,6-7,10-13,23,25-26,31-32H,4-5,8-9,14-21H2/t25-,26-/m0/s1
InChIKey
CVJRXEIXMGOVAR-UIOOFZCWSA-N
Compound name
[(3S)-oxolan-3-yl] N-[(2S)-3-[cyclopentylmethyl-(4-hydroxyphenyl)sulfonylamino]-2-hydroxypropyl]-N-(2-phenylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.24 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.24728 227.2
[M+Na]+ 569.22922 223.8
[M-H]- 545.23272 238.4
[M+NH4]+ 564.27382 232.2
[M+K]+ 585.20316 224.3
[M+H-H2O]+ 529.23726 219.4
[M+HCOO]- 591.23820 238.2
[M+CH3COO]- 605.25385 246.6
[M+Na-2H]- 567.21467 222.8
[M]+ 546.23945 229.0
[M]- 546.24055 229.0
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.