CID 507727

Benzyl n-[(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl(isopropylsulfamoyl)amino]propyl]carbamate

Structural Information

Molecular Formula
C25H37N3O5S
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)S(=O)(=O)NC(C)C
InChI
InChI=1S/C25H37N3O5S/c1-19(2)16-28(34(31,32)27-20(3)4)17-24(29)23(15-21-11-7-5-8-12-21)26-25(30)33-18-22-13-9-6-10-14-22/h5-14,19-20,23-24,27,29H,15-18H2,1-4H3,(H,26,30)/t23-,24+/m0/s1
InChIKey
GZDDJYWZFJMXBY-BJKOFHAPSA-N
Compound name
benzyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl(propan-2-ylsulfamoyl)amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.2454 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.25268 218.4
[M+Na]+ 514.23462 215.7
[M-H]- 490.23812 222.4
[M+NH4]+ 509.27922 223.4
[M+K]+ 530.20856 214.3
[M+H-H2O]+ 474.24266 208.3
[M+HCOO]- 536.24360 230.6
[M+CH3COO]- 550.25925 245.6
[M+Na-2H]- 512.22007 215.7
[M]+ 491.24485 221.7
[M]- 491.24595 221.7
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.