Chemical Components in the PDB

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GNC : Summary

Code

GNC

One-letter code

Q

Molecule name

N~2~-methyl-L-glutamine

Systematic names

ProgramVersionName
ACDLabs 12.01 N~2~-methyl-L-glutamine
OpenEye OEToolkits 1.7.6 (2S)-5-azanyl-2-(methylamino)-5-oxidanylidene-pentanoic acid

Formula

C6 H12 N2 O3

Formal charge

0

Molecular weight

160.171 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(NC)CCC(=O)N
SMILES CACTVS 3.370 CN[CH](CCC(N)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CNC(CCC(=O)N)C(=O)O
Canonical SMILES CACTVS 3.370 CN[C@@H](CCC(N)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CN[C@@H](CCC(=O)N)C(=O)O

IUPAC InChI

InChI=1S/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m0/s1

IUPAC InChI key

KSZFSNZOGAXEGH-BYPYZUCNSA-N
GNC

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLN

Defined at

2011-11-30

Last modified at

2012-11-16

Status

Released

Obsoleted

Not Assigned