Chemical Components in the PDB

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SP5 : Summary

Code

SP5

One-letter code

X

Molecule name

N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide

Synonyms

N1-AcSpermine

Systematic names

ProgramVersionName
ACDLabs 10.04 N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
OpenEye OEToolkits 1.5.0 N-[3-[4-(3-aminopropylamino)butylamino]propyl]ethanamide

Formula

C12 H28 N4 O

Formal charge

0

Molecular weight

244.377 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NCCCNCCCCNCCCN)C
SMILES CACTVS 3.341 CC(=O)NCCCNCCCCNCCCN
SMILES OpenEye OEToolkits 1.5.0 CC(=O)NCCCNCCCCNCCCN
Canonical SMILES CACTVS 3.341 CC(=O)NCCCNCCCCNCCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)NCCCNCCCCNCCCN

IUPAC InChI

InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)

IUPAC InChI key

GUNURVWAJRRUAV-UHFFFAOYSA-N
SP5

wwPDB Information

Atom count

45 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-03-31

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned