CID 481187

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

Structural Information

Molecular Formula
C29H46N2O7S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)C[C@H](CN(CCC3CCCCC3)C(=O)O[C@H]4CCOC4)O
InChI
InChI=1S/C29H46N2O7S/c1-36-26-11-13-28(14-12-26)39(34,35)31(19-24-9-5-6-10-24)21-25(32)20-30(17-15-23-7-3-2-4-8-23)29(33)38-27-16-18-37-22-27/h11-14,23-25,27,32H,2-10,15-22H2,1H3/t25-,27-/m0/s1
InChIKey
KFLBFJORJHVSCR-BDYUSTAISA-N
Compound name
[(3S)-oxolan-3-yl] N-(2-cyclohexylethyl)-N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.30255 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.30983 232.9
[M+Na]+ 589.29177 226.7
[M-H]- 565.29527 243.7
[M+NH4]+ 584.33637 237.6
[M+K]+ 605.26571 228.1
[M+H-H2O]+ 549.29981 225.2
[M+HCOO]- 611.30075 240.9
[M+CH3COO]- 625.31640 252.6
[M+Na-2H]- 587.27722 226.1
[M]+ 566.30200 232.8
[M]- 566.30310 232.8
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.