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CHEBI:42728 - 5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:42728
ChEBI Name5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC13H23N3O5
Net Charge0
Average Mass301.343
Monoisotopic Mass301.16377
SMILES[H]OC(=O)[C@]1([H])O[C@@]([H])(C(=O)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(N([H])[H])C1([H])[H]
InChIInChI=1S/C13H23N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h8-11H,4-6,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,9+,10+,11+/m0/s1
InChIKeyBULFTXGJKXVMER-LNFKQOIKSA-N
ChEBI Ontology
Outgoing Relation(s)
5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID (CHEBI:42728) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,4S,5R,6R)-5-(acetylamino)-4-amino-6-(diethylcarbamoyl)tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)PDBeChem
5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACIDPDBeChem
Manual XrefsDatabases
G28PDBeChem