CCZ

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Summary

Name:phenyl (4-carbamimidoylbenzyl)phosphonate
Synonyms:phenyl Benzamidine Phosphonate
Formula:C14 H15 N2 O3 P
Formal charge:0
Molecular weight:290.254 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01phenyl hydrogen (R)-(4-carbamimidoylbenzyl)phosphonate
OpenEye OEToolkits1.7.0(4-carbamimidoylphenyl)methyl-phenoxy-phosphinic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(Oc1ccccc1)Cc2ccc(C(=[N@H])N)cc2
SMILES_CANONICALCACTVS3.370NC(=N)c1ccc(C[P](O)(=O)Oc2ccccc2)cc1
SMILESCACTVS3.370NC(=N)c1ccc(C[P](O)(=O)Oc2ccccc2)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.0[H]/N=C(/c1ccc(cc1)C[P@@](=O)(O)Oc2ccccc2)\N
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)OP(=O)(Cc2ccc(cc2)C(=N)N)O
InChIInChI1.03InChI=1S/C14H15N2O3P/c15-14(16)12-8-6-11(7-9-12)10-20(17,18)19-13-4-2-1-3-5-13/h1-9H,10H2,(H3,15,16)(H,17,18)
InChIKeyInChI1.03WWKGYQUWQUONHG-UHFFFAOYSA-N
167327
PDB entries from 2020-08-05