Chemical Components in the PDB

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DVK : Summary

Code

DVK

One-letter code

X

Molecule name

2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol

Formula

C10 H23 N3 O

Formal charge

0

Molecular weight

201.309 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NCCCCN1CCN(CCO)CC1
SMILES OpenEye OEToolkits 2.0.6 C1CN(CCN1CCCCN)CCO
Canonical SMILES CACTVS 3.385 NCCCCN1CCN(CCO)CC1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1CN(CCN1CCCCN)CCO

IUPAC InChI

InChI=1S/C10H23N3O/c11-3-1-2-4-12-5-7-13(8-6-12)9-10-14/h14H,1-11H2

IUPAC InChI key

TUKFFSGMQJSJQQ-UHFFFAOYSA-N
DVK

wwPDB Information

Atom count

37 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-02-02

Last modified at

2018-06-01

Status

Released

Obsoleted

Not Assigned