Chemical Components in the PDB

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PAW : Summary

Code

PAW

One-letter code

X

Molecule name

N-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE-1,2-DIAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-(2-aminoethyl)-N'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine
OpenEye OEToolkits 1.5.0 N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine

Formula

C8 H23 N5

Formal charge

0

Molecular weight

189.302 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NCCNCCNCCNCCN
SMILES CACTVS 3.341 NCCNCCNCCNCCN
SMILES OpenEye OEToolkits 1.5.0 C(CNCCNCCNCCN)N
Canonical SMILES CACTVS 3.341 NCCNCCNCCNCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CNCCNCCNCCN)N

IUPAC InChI

InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2

IUPAC InChI key

FAGUFWYHJQFNRV-UHFFFAOYSA-N
PAW

wwPDB Information

Atom count

36 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-09-11

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned