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CHEBI:130273 - 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-propylacetamide

ChEBI IDCHEBI:130273
ChEBI Name2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-propylacetamide
Stars
DownloadsMolfile
FormulaC20H29N3O5
Net Charge0
Average Mass391.468
Monoisotopic Mass391.21072
SMILESCCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cccnc2)O1
InChIInChI=1S/C20H29N3O5/c1-2-7-22-19(25)9-16-5-6-17-18(28-16)13-27-12-15(24)11-23(17)20(26)14-4-3-8-21-10-14/h3-4,8,10,15-18,24H,2,5-7,9,11-13H2,1H3,(H,22,25)/t15-,16+,17-,18+/m1/s1
InChIKeyWAPGLMAYCIMBJK-XDNAFOTISA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-propylacetamide (CHEBI:130273) is a aromatic carboxylic acid (CHEBI:33859)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-propylacetamide (CHEBI:130273) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual XrefsDatabases
LSM-41822LINCS