Chemical Components in the PDB

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9AH : Summary

Code

9AH

One-letter code

X

Molecule name

4-(dipropylamino)butanenitrile

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-(dipropylamino)butanenitrile

Formula

C10 H20 N2

Formal charge

0

Molecular weight

168.279 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCN(CCC)CCCC#N
SMILES OpenEye OEToolkits 2.0.6 CCCN(CCC)CCCC#N
Canonical SMILES CACTVS 3.385 CCCN(CCC)CCCC#N
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCN(CCC)CCCC#N

IUPAC InChI

InChI=1S/C10H20N2/c1-3-8-12(9-4-2)10-6-5-7-11/h3-6,8-10H2,1-2H3

IUPAC InChI key

FLJPZKPNJVGMHO-UHFFFAOYSA-N
9AH

wwPDB Information

Atom count

32 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-05-03

Last modified at

2018-05-25

Status

Released

Obsoleted

Not Assigned