N(5)-phenyl-L-glutamine

Details

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Internal ID fd04d391-ca2b-451c-82c0-da782e6deb1f
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamine and derivatives
IUPAC Name (2S)-2-amino-5-anilino-5-oxopentanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H14N2O3/c12-9(11(15)16)6-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChI Key VMNRUJGOLBSEPK-VIFPVBQESA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C11H14N2O3
Molecular Weight 222.24 g/mol
Exact Mass 222.10044231 g/mol
Topological Polar Surface Area (TPSA) 92.40 Ų
XlogP -2.10

Synonyms

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5963-60-0
N(5)-phenyl-L-glutamine
(2S)-2-amino-5-anilino-5-oxopentanoic acid
N-Phenyl-L-glutamine
L-gamma-glutamylaniline
gamma-glutamylanilide
(S)-2-Amino-5-oxo-5-(phenylamino)pentanoic acid
H-Gln(Ph)-OH
L-Glutamic acid gamma-anilide
N5-phenyl-L-glutamine
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of N(5)-phenyl-L-glutamine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL221 P23219 Cyclooxygenase-1 92.86% 90.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.58% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.23% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.70% 95.56%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 86.10% 94.62%
CHEMBL3401 O75469 Pregnane X receptor 85.67% 94.73%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 85.19% 92.29%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.69% 99.23%
CHEMBL1255126 O15151 Protein Mdm4 84.49% 90.20%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.36% 100.00%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 82.73% 94.08%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 82.55% 97.21%
CHEMBL1287628 Q9Y5S8 NADPH oxidase 1 81.58% 95.48%
CHEMBL2782 P35610 Acyl coenzyme A:cholesterol acyltransferase 1 81.24% 91.65%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.11% 96.09%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 18603770
LOTUS LTS0136881
wikiData Q27147791