Chemical Components in the PDB

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DRE : Summary

Code

DRE

One-letter code

X

Molecule name

N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-(6-aminohexyl)hexane-1,6-diamine
OpenEye OEToolkits 1.5.0 N-(6-aminohexyl)hexane-1,6-diamine

Formula

C12 H29 N3

Formal charge

0

Molecular weight

215.379 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NCCCCCCNCCCCCCN
SMILES CACTVS 3.341 NCCCCCCNCCCCCCN
SMILES OpenEye OEToolkits 1.5.0 C(CCCNCCCCCCN)CCN
Canonical SMILES CACTVS 3.341 NCCCCCCNCCCCCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CCCNCCCCCCN)CCN

IUPAC InChI

InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2

IUPAC InChI key

MRNZSTMRDWRNNR-UHFFFAOYSA-N
DRE

wwPDB Information

Atom count

44 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-04-18

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned