Chemical Components in the PDB

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NAL : Summary

Code

NAL

One-letter code

A

Molecule name

BETA-(2-NAPHTHYL)-ALANINE

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name)
OpenEye OEToolkits 1.7.0 (2S)-2-azanyl-3-naphthalen-2-yl-propanoic acid

Formula

C13 H13 N O2

Formal charge

0

Molecular weight

215.248 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)Cc2ccc1c(cccc1)c2
SMILES CACTVS 3.370 N[CH](Cc1ccc2ccccc2c1)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 c1ccc2cc(ccc2c1)CC(C(=O)O)N
Canonical SMILES CACTVS 3.370 N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1

IUPAC InChI key

JPZXHKDZASGCLU-LBPRGKRZSA-N
NAL

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned