CID 481182

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

Structural Information

Molecular Formula
C25H40N2O7S
SMILES
CC(C)CN(C[C@@H](CN(CC1CCCC1)S(=O)(=O)C2=CC=C(C=C2)OC)O)C(=O)O[C@H]3CCOC3
InChI
InChI=1S/C25H40N2O7S/c1-19(2)14-26(25(29)34-23-12-13-33-18-23)16-21(28)17-27(15-20-6-4-5-7-20)35(30,31)24-10-8-22(32-3)9-11-24/h8-11,19-21,23,28H,4-7,12-18H2,1-3H3/t21-,23-/m0/s1
InChIKey
ZGTLJHHNGQCFCW-GMAHTHKFSA-N
Compound name
[(3S)-oxolan-3-yl] N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-N-(2-methylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.2556 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.26288 223.7
[M+Na]+ 535.24482 220.6
[M-H]- 511.24832 233.1
[M+NH4]+ 530.28942 231.3
[M+K]+ 551.21876 222.8
[M+H-H2O]+ 495.25286 216.6
[M+HCOO]- 557.25380 234.7
[M+CH3COO]- 571.26945 244.7
[M+Na-2H]- 533.23027 217.7
[M]+ 512.25505 228.2
[M]- 512.25615 228.2
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.