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

A1AZM

Summary
Name:4-carbamimidamidophenyl 4-carbamimidamidobenzoate
Formula:C15 H16 N6 O2
Formal charge:0
Formula weight:312.327 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-carbamimidamidophenyl 4-carbamimidamidobenzoate
OpenEye OEToolkits2.0.7(4-carbamimidamidophenyl) 4-carbamimidamidobenzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Oc1ccc(cc1)NC(=N)N)c1ccc(NC(=N)N)cc1
InChIInChI1.06InChI=1S/C15H16N6O2/c16-14(17)20-10-3-1-9(2-4-10)13(22)23-12-7-5-11(6-8-12)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)
InChIKeyInChI1.06JXJBQAMLLCEHTI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1
SMILESCACTVS3.385NC(=N)Nc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7[H]/N=C(\N)/Nc1ccc(cc1)C(=O)Oc2ccc(cc2)N/C(=N\[H])/N
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C(=O)Oc2ccc(cc2)NC(=N)N)NC(=N)N

226262

PDB entries from 2024-10-16

PDB statisticsPDBj update infoContact PDBjnumon