CHEBI:99192 - 2-[(2S,4aS,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide

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ChEBI Name 2-[(2S,4aS,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide
ChEBI ID CHEBI:99192
Stars This entity has been manually annotated by a third party.
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Formula C20H27N3O5
Net Charge 0
Average Mass 389.446
Monoisotopic Mass 389.19507
InChI InChI=1S/C20H27N3O5/c1-4-21-19(25)10-14-6-7-16-18(28-14)11-27-17-8-5-13(22-12(2)24)9-15(17)20(26)23(16)3/h5,8-9,14,16,18H,4,6-7,10-11H2,1-3H3,(H,21,25)(H,22,24)/t14-,16-,18+/m0/s1
InChIKey WVVDCAKHEAPTNY-QILLFSRXSA-N
SMILES CCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)C)C(=O)N2C
ChEBI Ontology
Outgoing 2-[(2S,4aS,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide (CHEBI:99192) is a acetamides (CHEBI:22160)
2-[(2S,4aS,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide (CHEBI:99192) is a aromatic amide (CHEBI:62733)
Manual Xref Database
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