Chemical Components in the PDB

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WO7 : Summary

Code

WO7

One-letter code

X

Molecule name

1-(1,4-diazepan-1-yl)ethan-1-one

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(1,4-diazepan-1-yl)ethan-1-one
OpenEye OEToolkits 2.0.7 1-(1,4-diazepan-1-yl)ethanone

Formula

C7 H14 N2 O

Formal charge

0

Molecular weight

142.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1CNCCCN1C(C)=O
SMILES CACTVS 3.385 CC(=O)N1CCCNCC1
SMILES OpenEye OEToolkits 2.0.7 CC(=O)N1CCCNCC1
Canonical SMILES CACTVS 3.385 CC(=O)N1CCCNCC1
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)N1CCCNCC1

IUPAC InChI

InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3

IUPAC InChI key

TWJPZMYNUBAUGA-UHFFFAOYSA-N
WO7

wwPDB Information

Atom count

24 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-10-30

Last modified at

2020-11-06

Status

Released

Obsoleted

Not Assigned