CID 481183

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

Structural Information

Molecular Formula
C30H42N2O7S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)C[C@H](CN(CCCC3=CC=CC=C3)C(=O)O[C@H]4CCOC4)O
InChI
InChI=1S/C30H42N2O7S/c1-37-27-13-15-29(16-14-27)40(35,36)32(20-25-10-5-6-11-25)22-26(33)21-31(30(34)39-28-17-19-38-23-28)18-7-12-24-8-3-2-4-9-24/h2-4,8-9,13-16,25-26,28,33H,5-7,10-12,17-23H2,1H3/t26-,28-/m0/s1
InChIKey
CMWBUJZMFRQVFZ-XCZPVHLTSA-N
Compound name
[(3S)-oxolan-3-yl] N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-N-(3-phenylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.2713 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.27858 236.6
[M+Na]+ 597.26052 232.7
[M-H]- 573.26402 248.7
[M+NH4]+ 592.30512 241.1
[M+K]+ 613.23446 233.6
[M+H-H2O]+ 557.26856 228.2
[M+HCOO]- 619.26950 248.4
[M+CH3COO]- 633.28515 254.1
[M+Na-2H]- 595.24597 231.5
[M]+ 574.27075 240.7
[M]- 574.27185 240.7
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.