CHEBI:102954 - N-[(2R,4aS,12aS)-2-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide

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ChEBI Name N-[(2R,4aS,12aS)-2-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide
ChEBI ID CHEBI:102954
Stars This entity has been manually annotated by a third party.
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Formula C30H26F2N4O5
Net Charge 0
Average Mass 560.549
Monoisotopic Mass 560.18713
InChI InChI=1S/C30H26F2N4O5/c1-36-25-10-8-21(14-28(37)35-24-12-19(31)6-9-23(24)32)41-27(25)16-40-26-11-7-20(13-22(26)30(36)39)34-29(38)18-4-2-17(15-33)3-5-18/h2-7,9,11-13,21,25,27H,8,10,14,16H2,1H3,(H,34,38)(H,35,37)/t21-,25+,27-/m1/s1
InChIKey HZZMILAACSDJOI-NKPLSRDGSA-N
SMILES CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C#N)CC(=O)NC5=C(C=CC(=C5)F)F
ChEBI Ontology
Outgoing N-[(2R,4aS,12aS)-2-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide (CHEBI:102954) is a benzamides (CHEBI:22702)
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