Chemical Components in the PDB

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8JX : Summary

Code

8JX

One-letter code

X

Molecule name

5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid

Formula

C16 H19 N O5 S

Formal charge

0

Molecular weight

337.391 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(c2ccccc12)[S](=O)(=O)NCCCCC(O)=O
SMILES OpenEye OEToolkits 2.0.6 COc1ccc(c2c1cccc2)S(=O)(=O)NCCCCC(=O)O
Canonical SMILES CACTVS 3.385 COc1ccc(c2ccccc12)[S](=O)(=O)NCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1ccc(c2c1cccc2)S(=O)(=O)NCCCCC(=O)O

IUPAC InChI

InChI=1S/C16H19NO5S/c1-22-14-9-10-15(13-7-3-2-6-12(13)14)23(20,21)17-11-5-4-8-16(18)19/h2-3,6-7,9-10,17H,4-5,8,11H2,1H3,(H,18,19)

IUPAC InChI key

ZPHHWDJVJHTZHN-UHFFFAOYSA-N
8JX

wwPDB Information

Atom count

42 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-20

Last modified at

2018-06-01

Status

Released

Obsoleted

Not Assigned