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CHEBI:97400 - N-[(2S,4aR,12aR)-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 IDCHEBI:97400
ChEBI NameN-[(2S,4aR,12aR)-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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DownloadsMolfile
FormulaC30H36FN3O5
Net Charge0
Average Mass537.632
Monoisotopic Mass537.26390
SMILESCN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@H](CC(=O)NCC3CCCCC3)CC[C@H]21
InChIInChI=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-/m0/s1
InChIKeyBSKZHQCAOYVBFU-RELGLDOUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,4aR,12aR)-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:97400) is a carbonyl compound (CHEBI:36586)
N-[(2S,4aR,12aR)-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:97400) is a organohalogen compound (CHEBI:17792)
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