Chemical Components in the PDB

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EBM : Summary

Code

EBM

One-letter code

X

Molecule name

2-iodo-N-(1-methylethyl)benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 2-iodo-N-propan-2-yl-benzamide

Formula

C10 H12 I N O

Formal charge

0

Molecular weight

289.113 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 CC(C)NC(=O)c1ccccc1I
SMILES OpenEye OEToolkits 1.7.0 CC(C)NC(=O)c1ccccc1I
Canonical SMILES CACTVS 3.352 CC(C)NC(=O)c1ccccc1I
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(C)NC(=O)c1ccccc1I

IUPAC InChI

InChI=1S/C10H12INO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13)

IUPAC InChI key

PSGIDUPRPSJZRV-UHFFFAOYSA-N
EBM

wwPDB Information

Atom count

25 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-02-23

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned