CID 481230

N-((2s)-3-{(cyclopentylmethyl)[(1,3-oxazol-5-ylmethyl)sulfonyl]amino}-2-hydroxypropyl)phenyl-n-(2-phenylethyl)carboxamide

Structural Information

Molecular Formula
C28H35N3O5S
SMILES
C1CCC(C1)CN(C[C@H](CN(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3)O)S(=O)(=O)CC4=CN=CO4
InChI
InChI=1S/C28H35N3O5S/c32-26(20-31(18-24-11-7-8-12-24)37(34,35)21-27-17-29-22-36-27)19-30(16-15-23-9-3-1-4-10-23)28(33)25-13-5-2-6-14-25/h1-6,9-10,13-14,17,22,24,26,32H,7-8,11-12,15-16,18-21H2/t26-/m0/s1
InChIKey
SYXDCOJALNBWFD-SANMLTNESA-N
Compound name
N-[(2S)-3-[cyclopentylmethyl(1,3-oxazol-5-ylmethylsulfonyl)amino]-2-hydroxypropyl]-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.22974 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.23702 225.2
[M+Na]+ 548.21896 224.0
[M-H]- 524.22246 237.2
[M+NH4]+ 543.26356 230.5
[M+K]+ 564.19290 223.1
[M+H-H2O]+ 508.22700 215.8
[M+HCOO]- 570.22794 238.9
[M+CH3COO]- 584.24359 245.3
[M+Na-2H]- 546.20441 222.1
[M]+ 525.22919 228.6
[M]- 525.23029 228.6
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.