Chemical Components in the PDB

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NPQ : Summary

Code

NPQ

One-letter code

X

Molecule name

N-acetyl naphthylalanine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 (2S)-2-acetamido-3-naphthalen-2-yl-propanoic acid

Formula

C15 H15 N O3

Formal charge

0

Molecular weight

257.284 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)N[CH](Cc1ccc2ccccc2c1)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O
Canonical SMILES CACTVS 3.385 CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

IUPAC InChI

InChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)/t14-/m0/s1

IUPAC InChI key

HGTIILKZSFKZMS-AWEZNQCLSA-N
NPQ

wwPDB Information

Atom count

34 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-10-12

Last modified at

2016-11-11

Status

Released

Obsoleted

Not Assigned