Chemical Components in the PDB

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O3K : Summary

Code

O3K

One-letter code

X

Molecule name

2-bromanyl-N-decyl-ethanamide

Synonyms

2-bromo-N-decyl acetamide (C10)

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-bromanyl-~{N}-decyl-ethanamide

Formula

C12 H24 Br N O

Formal charge

0

Molecular weight

278.229 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCCCCCCNC(=O)CBr
SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCCCNC(=O)CBr
Canonical SMILES CACTVS 3.385 CCCCCCCCCCNC(=O)CBr
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCCCNC(=O)CBr

IUPAC InChI

InChI=1S/C12H24BrNO/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-13/h2-11H2,1H3,(H,14,15)

IUPAC InChI key

RZTGBAJAVREPOB-UHFFFAOYSA-N
O3K

wwPDB Information

Atom count

39 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-01-23

Last modified at

2024-03-15

Status

Released

Obsoleted

Not Assigned