CID 507735

Benzyl n-[(1s,2r)-1-benzyl-3-[tert-butylsulfamoyl(cyclohexyl)amino]-2-hydroxy-propyl]carbamate

Structural Information

Molecular Formula
C28H41N3O5S
SMILES
CC(C)(C)NS(=O)(=O)N(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)C3CCCCC3
InChI
InChI=1S/C28H41N3O5S/c1-28(2,3)30-37(34,35)31(24-17-11-6-12-18-24)20-26(32)25(19-22-13-7-4-8-14-22)29-27(33)36-21-23-15-9-5-10-16-23/h4-5,7-10,13-16,24-26,30,32H,6,11-12,17-21H2,1-3H3,(H,29,33)/t25-,26+/m0/s1
InChIKey
YEIWEQAFLGUOEF-IZZNHLLZSA-N
Compound name
benzyl N-[(2S,3R)-4-[tert-butylsulfamoyl(cyclohexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.2767 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.28398 222.4
[M+Na]+ 554.26592 217.7
[M-H]- 530.26942 228.2
[M+NH4]+ 549.31052 225.4
[M+K]+ 570.23986 215.8
[M+H-H2O]+ 514.27396 212.3
[M+HCOO]- 576.27490 231.5
[M+CH3COO]- 590.29055 249.7
[M+Na-2H]- 552.25137 222.8
[M]+ 531.27615 220.9
[M]- 531.27725 220.9
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.