Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

8L4

Summary
Name:3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide
Formula:C17 H19 Cl N4 O2
Formal charge:0
Formula weight:346.811 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide
OpenEye OEToolkits2.0.61-(4-chlorophenyl)-3-[2-[3-(~{N}-oxidanylcarbamimidoyl)phenyl]propan-2-yl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=N)(\c1cccc(c1)C(C)(C)NC(Nc2ccc(Cl)cc2)=O)NO
InChIInChI1.03InChI=1S/C17H19ClN4O2/c1-17(2,12-5-3-4-11(10-12)15(19)22-24)21-16(23)20-14-8-6-13(18)7-9-14/h3-10,24H,1-2H3,(H2,19,22)(H2,20,21,23)
InChIKeyInChI1.03NZOIAPIDYRJDOM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(NC(=O)Nc1ccc(Cl)cc1)c2cccc(c2)C(=N)NO
SMILESCACTVS3.385CC(C)(NC(=O)Nc1ccc(Cl)cc1)c2cccc(c2)C(=N)NO
SMILES_CANONICALOpenEye OEToolkits2.0.6[H]/N=C(/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Cl)\NO
SMILESOpenEye OEToolkits2.0.6CC(C)(c1cccc(c1)C(=N)NO)NC(=O)Nc2ccc(cc2)Cl

224931

數據於2024-09-11公開中

PDB statisticsPDBj update infoContact PDBjnumon