N-[3-[5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N-hydroxyacetamide

Details

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Internal ID 6098309a-4cc1-4d8b-8e92-1086c1a97835
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
IUPAC Name N-[3-[5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N-hydroxyacetamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H24N4O6/c1-9(19)17(23)7-3-5-11-13(21)16-12(14(22)15-11)6-4-8-18(24)10(2)20/h11-12,23-24H,3-8H2,1-2H3,(H,15,22)(H,16,21)
InChI Key PUWVNTVQJFSBDH-UHFFFAOYSA-N
Popularity 49 references in papers

Physical and Chemical Properties

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Molecular Formula C14H24N4O6
Molecular Weight 344.36 g/mol
Exact Mass 344.16958450 g/mol
Topological Polar Surface Area (TPSA) 139.00 Ų
XlogP -1.80

Synonyms

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Acetamide, N,N'-[[(2S,5S)-3,6-dioxo-2,5-piperazinediyl]di-3,1-propanediyl]bis[N-hydroxy-
Rhodotulic acid
NSC-143096
(2S-cis)-N,N'-((3,6-Dioxopiperazine-2,5-diyl)di-3,1-propanediyl)bis(N-hydroxyacetamide)
SCHEMBL472938
CHEMBL322490
NSC143096
FT-0637764
Q7321233
Acetamide,N'-[(3,6-dioxo-2,5-piperazinediyl)di-3,1-propanediyl]bis[N-hydroxy-, (2S-cis)-
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-[3-[5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-N-hydroxyacetamide

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
CHEMBL2581 P07339 Cathepsin D 93.94% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.76% 96.09%
CHEMBL5103 Q969S8 Histone deacetylase 10 90.87% 90.08%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.98% 91.11%
CHEMBL255 P29275 Adenosine A2b receptor 86.07% 98.59%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.57% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.04% 99.17%

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 29337
LOTUS LTS0218737
wikiData Q105215335