CHEBI:96578 - (2S,3S)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

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ChEBI Name (2S,3S)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one ChEBI ID CHEBI:96578 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H34FN3O3 Net Charge 0 Average Mass 467.577 Monoisotopic Mass 467.25842 InChI InChI=1S/C27H34FN3O3/c1-5-6-7-10-21-13-23-26(29-14-21)34-25(19(2)15-31(27(23)33)20(3)18-32)17-30(4)16-22-11-8-9-12-24(22)28/h8-9,11-14,19-20,25,32H,5-6,15-18H2,1-4H3/t19-,20-,25+/m0/s1 InChIKey RXPBILAYEMNMFE-ZYLNGJIFSA-N SMILES CCCC#CC1=CC2=C(N=C1)O[C@@H]([C@H](CN(C2=O)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3F Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing (2S,3S)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:96578) is a aromatic amine (CHEBI:33860) Manual Xref Database LSM-7957 LINCS View more database links