3YH

3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide

Created: 2010-12-16
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count55
Aromatic Bond Count25
2D diagram of 3YH
Toggle HydrogenToggle Labels

Chemical Component Summary

Name3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)3-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-4-carboxamide
FormulaC23 H19 N5 O4 S
Molecular Weight461.493
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=S(=O)(N)c1ccccc1c2ccc(cc2)NC(=O)c4conc4c3cc(ccc3)C(=[N@H])N
SMILESCACTVS3.370NC(=N)c1cccc(c1)c2nocc2C(=O)Nc3ccc(cc3)c4ccccc4[S](N)(=O)=O
SMILESOpenEye OEToolkits1.7.0c1ccc(c(c1)c2ccc(cc2)NC(=O)c3conc3c4cccc(c4)C(=N)N)S(=O)(=O)N
Canonical SMILESCACTVS3.370 NC(=N)c1cccc(c1)c2nocc2C(=O)Nc3ccc(cc3)c4ccccc4[S](N)(=O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 [H]/N=C(\c1cccc(c1)c2c(con2)C(=O)Nc3ccc(cc3)c4ccccc4S(=O)(=O)N)/N
InChIInChI1.03 InChI=1S/C23H19N5O4S/c24-22(25)16-5-3-4-15(12-16)21-19(13-32-28-21)23(29)27-17-10-8-14(9-11-17)18-6-1-2-7-20(18)33(26,30)31/h1-13H,(H3,24,25)(H,27,29)(H2,26,30,31)
InChIKeyInChI1.03 LPYBKEFBMJIVEB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL140072
PubChem 9934003
ChEMBL CHEMBL140072