Chemical Components in the PDB

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RXH : Summary

Code

RXH

One-letter code

X

Molecule name

Naproxen Methyl Ester

Synonyms

Methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
(S)-Methyl 2-(6-methoxynaphthalen-2-yl)propanoate
(S)-Naproxen Methyl Ester
methyl-naproxen

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 methyl (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate

Formula

C15 H16 O3

Formal charge

0

Molecular weight

244.286 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COC(=O)[CH](C)c1ccc2cc(OC)ccc2c1
SMILES OpenEye OEToolkits 2.0.7 CC(c1ccc2cc(ccc2c1)OC)C(=O)OC
Canonical SMILES CACTVS 3.385 COC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)OC

IUPAC InChI

InChI=1S/C15H16O3/c1-10(15(16)18-3)11-4-5-13-9-14(17-2)7-6-12(13)8-11/h4-10H,1-3H3/t10-/m0/s1

IUPAC InChI key

ZFYFBPCRUQZGJE-JTQLQIEISA-N
RXH

wwPDB Information

Atom count

34 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

Yes

Standard parent

NPS

Defined at

2020-10-29

Last modified at

2021-02-26

Status

Released

Obsoleted

Not Assigned