Chemical Components in the PDB

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GF7 : Summary

Code

GF7

One-letter code

X

Molecule name

(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
OpenEye OEToolkits 1.5.0 (3S)-1-(4-ethanoylphenyl)-5-oxo-pyrrolidine-3-carboxylic acid

Formula

C13 H13 N O4

Formal charge

0

Molecular weight

247.247 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c1ccc(cc1)N2C(=O)CC(C(=O)O)C2)C
SMILES CACTVS 3.341 CC(=O)c1ccc(cc1)N2C[CH](CC2=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(=O)c1ccc(cc1)N2CC(CC2=O)C(=O)O
Canonical SMILES CACTVS 3.341 CC(=O)c1ccc(cc1)N2C[C@H](CC2=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)c1ccc(cc1)N2C[C@H](CC2=O)C(=O)O

IUPAC InChI

InChI=1S/C13H13NO4/c1-8(15)9-2-4-11(5-3-9)14-7-10(13(17)18)6-12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)/t10-/m0/s1

IUPAC InChI key

SQGYWRZISBCKMW-JTQLQIEISA-N
GF7

wwPDB Information

Atom count

31 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-03-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned