Chemical Components in the PDB

pdbe.org/chem
spacer

PG9 : Summary

Code

PG9

One-letter code

G

Molecule name

D-PHENYLGLYCINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-amino(phenyl)ethanoic acid
OpenEye OEToolkits 1.5.0 (2R)-2-amino-2-phenyl-ethanoic acid

Formula

C8 H9 N O2

Formal charge

0

Molecular weight

151.163 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)c1ccccc1
SMILES CACTVS 3.341 N[CH](C(O)=O)c1ccccc1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](C(O)=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)[C@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1

IUPAC InChI key

ZGUNAGUHMKGQNY-SSDOTTSWSA-N
PG9

wwPDB Information

Atom count

20 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLY

Defined at

2005-10-07

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned