(2R,3S,4R,5S,6R)-4,5-diacetamido-3,6-dihydroxyoxane-2-carboxylic acid

Details

• Internal ID: ac537715-36f8-4858-a764-a8e12135fdc8
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Gamma amino acids and derivatives
• IUPAC Name: (2R,3S,4R,5S,6R)-4,5-diacetamido-3,6-dihydroxyoxane-2-carboxylic acid
• SMILES (Canonical): CC(=O)NC1C(C(OC(C1O)C(=O)O)O)NC(=O)C
• SMILES (Isomeric): CC(=O)N[C@@H]1[C@@H]([C@@H](O[C@H]([C@H]1O)C(=O)O)O)NC(=O)C
• InChI: InChI=1S/C10H16N2O7/c1-3(13)11-5-6(12-4(2)14)10(18)19-8(7(5)15)9(16)17/h5-8,10,15,18H,1-2H3,(H,11,13)(H,12,14)(H,16,17)/t5-,6+,7+,8-,10-/m1/s1
• InChI Key: SOXOUCOZZYMXPU-WASRKXDBSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆N₂O₇
• Molecular Weight: 276.24 g/mol
• Exact Mass: 276.09575085 g/mol
• Topological Polar Surface Area (TPSA): 145.00 Ų
• XlogP: -2.30

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	91.46%	83.82%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	86.59%	81.11%
CHEMBL3401	O75469	Pregnane X receptor	85.68%	94.73%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.36%	85.14%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	85.29%	87.67%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.36%	91.11%
CHEMBL340	P08684	Cytochrome P450 3A4	82.93%	91.19%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.88%	99.17%
CHEMBL2581	P07339	Cathepsin D	81.52%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 156614261
• LOTUS: LTS0239535
• wikiData: Q105257275