Chemical Components in the PDB

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CCZ : Summary

Code

CCZ

One-letter code

X

Molecule name

phenyl (4-carbamimidoylbenzyl)phosphonate

Synonyms

phenyl Benzamidine Phosphonate

Systematic names

ProgramVersionName
ACDLabs 12.01 phenyl hydrogen (R)-(4-carbamimidoylbenzyl)phosphonate
OpenEye OEToolkits 1.7.0 (4-carbamimidoylphenyl)methyl-phenoxy-phosphinic acid

Formula

C14 H15 N2 O3 P

Formal charge

0

Molecular weight

290.254 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(Oc1ccccc1)Cc2ccc(C(=[N@H])N)cc2
SMILES CACTVS 3.370 NC(=N)c1ccc(C[P](O)(=O)Oc2ccccc2)cc1
SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)OP(=O)(Cc2ccc(cc2)C(=N)N)O
Canonical SMILES CACTVS 3.370 NC(=N)c1ccc(C[P](O)(=O)Oc2ccccc2)cc1
Canonical SMILES OpenEye OEToolkits 1.7.0 [H]/N=C(/c1ccc(cc1)C[P@@](=O)(O)Oc2ccccc2)\N

IUPAC InChI

InChI=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)

IUPAC InChI key

WWKGYQUWQUONHG-UHFFFAOYSA-N
CCZ

wwPDB Information

Atom count

35 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-07-27

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned