Chemical Components in the PDB

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NLQ : Summary

Code

NLQ

One-letter code

Q

Molecule name

N~2~-ACETYL-L-GLUTAMINE

Synonyms

N-ACETYL-L-GLUTAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N~2~-acetyl-L-glutamine
OpenEye OEToolkits 1.5.0 (2S)-2-acetamido-5-amino-5-oxo-pentanoic acid

Formula

C7 H12 N2 O4

Formal charge

0

Molecular weight

188.181 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NC(C(=O)O)CCC(=O)N)C
SMILES CACTVS 3.341 CC(=O)N[CH](CCC(N)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(=O)NC(CCC(=O)N)C(=O)O
Canonical SMILES CACTVS 3.341 CC(=O)N[C@@H](CCC(N)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)N[C@@H](CCC(=O)N)C(=O)O

IUPAC InChI

InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1

IUPAC InChI key

KSMRODHGGIIXDV-YFKPBYRVSA-N
NLQ

wwPDB Information

Atom count

25 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLN

Defined at

2004-10-12

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned