Chemical Components in the PDB

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SHH : Summary

Code

SHH

One-letter code

X

Molecule name

OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE

Synonyms

SAHA

Systematic names

ProgramVersionName
ACDLabs 10.04 N-hydroxy-N'-phenyloctanediamide
OpenEye OEToolkits 1.5.0 N-hydroxy-N'-phenyl-octanediamide

Formula

C14 H20 N2 O3

Formal charge

0

Molecular weight

264.32 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Nc1ccccc1)CCCCCCC(=O)NO
SMILES CACTVS 3.341 ONC(=O)CCCCCCC(=O)Nc1ccccc1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)NC(=O)CCCCCCC(=O)NO
Canonical SMILES CACTVS 3.341 ONC(=O)CCCCCCC(=O)Nc1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)NC(=O)CCCCCCC(=O)NO

IUPAC InChI

InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)

IUPAC InChI key

WAEXFXRVDQXREF-UHFFFAOYSA-N
SHH

wwPDB Information

Atom count

39 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-30

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned