CHEBI:103004 - N-[(2R,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide

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ChEBI Name N-[(2R,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide
ChEBI ID CHEBI:103004
Stars This entity has been manually annotated by a third party.
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Formula C30H36FN3O5
Net Charge 0
Average Mass 537.623
Monoisotopic Mass 537.26390
InChI InChI=1S/C30H36FN3O5/c1-34-25-12-11-23(16-28(35)32-17-19-6-3-2-4-7-19)39-27(25)18-38-26-13-10-22(15-24(26)30(34)37)33-29(36)20-8-5-9-21(31)14-20/h5,8-10,13-15,19,23,25,27H,2-4,6-7,11-12,16-18H2,1H3,(H,32,35)(H,33,36)/t23-,25+,27-/m1/s1
InChIKey BSKZHQCAOYVBFU-NRRYGQPISA-N
SMILES CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)F)CC(=O)NCC5CCCCC5
ChEBI Ontology
Outgoing N-[(2R,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide (CHEBI:103004) is a carbonyl compound (CHEBI:36586)
N-[(2R,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide (CHEBI:103004) is a organohalogen compound (CHEBI:17792)
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