CID 6320087

4-(2-aminothiazol-4-yl)-n-[2-[benzyl-[(1s)-1-phenylethyl]amino]-2-oxo-ethyl]-n-[2-(2-pyridyl)ethyl]benzamide

Structural Information

Molecular Formula
C34H33N5O2S
SMILES
C[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)CN(CCC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C5=CSC(=N5)N
InChI
InChI=1S/C34H33N5O2S/c1-25(27-12-6-3-7-13-27)39(22-26-10-4-2-5-11-26)32(40)23-38(21-19-30-14-8-9-20-36-30)33(41)29-17-15-28(16-18-29)31-24-42-34(35)37-31/h2-18,20,24-25H,19,21-23H2,1H3,(H2,35,37)/t25-/m0/s1
InChIKey
DEPPDALWNFAICF-VWLOTQADSA-N
Compound name
4-(2-amino-1,3-thiazol-4-yl)-N-[2-[benzyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-(2-pyridin-2-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

575.2355 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.24278 236.9
[M+Na]+ 598.22472 237.0
[M-H]- 574.22822 250.4
[M+NH4]+ 593.26932 238.0
[M+K]+ 614.19866 231.4
[M+H-H2O]+ 558.23276 223.5
[M+HCOO]- 620.23370 252.3
[M+CH3COO]- 634.24935 241.5
[M+Na-2H]- 596.21017 234.1
[M]+ 575.23495 238.4
[M]- 575.23605 238.4
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.