Chemical Components in the PDB

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NPX : Summary

Code

NPX

One-letter code

X

Molecule name

(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid

Synonyms

(R)-Naproxen

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid
OpenEye OEToolkits 1.7.2 (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid

Formula

C14 H14 O3

Formal charge

0

Molecular weight

230.259 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
SMILES CACTVS 3.370 COc1ccc2cc(ccc2c1)[CH](C)C(O)=O
SMILES OpenEye OEToolkits 1.7.2 CC(c1ccc2cc(ccc2c1)OC)C(=O)O
Canonical SMILES CACTVS 3.370 COc1ccc2cc(ccc2c1)[C@@H](C)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O

IUPAC InChI

InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1

IUPAC InChI key

CMWTZPSULFXXJA-SECBINFHSA-N
NPX

wwPDB Information

Atom count

31 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-10-04

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned