Chemical Components in the PDB

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N4P : Summary

Code

N4P

One-letter code

X

Molecule name

N,N-bis(3-aminopropyl)butane-1,4-diamine

Synonyms

N4-aminopropylspermidine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 ~{N}',~{N}'-bis(3-azanylpropyl)butane-1,4-diamine

Formula

C10 H26 N4

Formal charge

0

Molecular weight

202.34 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NCCCCN(CCCN)CCCN
SMILES OpenEye OEToolkits 2.0.4 C(CCN(CCCN)CCCN)CN
Canonical SMILES CACTVS 3.385 NCCCCN(CCCN)CCCN
Canonical SMILES OpenEye OEToolkits 2.0.4 C(CCN(CCCN)CCCN)CN

IUPAC InChI

InChI=1S/C10H26N4/c11-5-1-2-8-14(9-3-6-12)10-4-7-13/h1-13H2

IUPAC InChI key

CAARYRKDWMNHCB-UHFFFAOYSA-N
N4P

wwPDB Information

Atom count

40 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-02-26

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned