Chemical Components in the PDB

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FM5 : Summary

Code

FM5

One-letter code

X

Molecule name

3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 [(1S)-1-(3,4-dichlorophenyl)-3-(ethanoyl-hydroxy-amino)propyl]phosphonic acid

Formula

C11 H14 Cl2 N O5 P

Formal charge

0

Molecular weight

342.112 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 CC(=O)N(O)CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.6.1 CC(=O)N(CCC(c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O
Canonical SMILES CACTVS 3.352 CC(=O)N(O)CC[C@@H](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.6.1 CC(=O)N(CC[C@@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O

IUPAC InChI

InChI=1S/C11H14Cl2NO5P/c1-7(15)14(16)5-4-11(20(17,18)19)8-2-3-9(12)10(13)6-8/h2-3,6,11,16H,4-5H2,1H3,(H2,17,18,19)/t11-/m0/s1

IUPAC InChI key

ABGCTQYLJZGMBM-NSHDSACASA-N
FM5

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-12-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned