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CHEBI:130224 - (2S,3R)-8-(1-cyclopentenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:130224
ChEBI Name(2S,3R)-8-(1-cyclopentenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC27H34FN3O3
Net Charge0
Average Mass467.585
Monoisotopic Mass467.25842
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@@H]1CN(C)Cc1cccc(F)c1
InChIInChI=1S/C27H34FN3O3/c1-18-14-31(19(2)17-32)27(33)24-12-22(21-8-4-5-9-21)13-29-26(24)34-25(18)16-30(3)15-20-7-6-10-23(28)11-20/h6-8,10-13,18-19,25,32H,4-5,9,14-17H2,1-3H3/t18-,19-,25-/m1/s1
InChIKeyNBDIGSALJWDELS-MPCDZSKCSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-8-(1-cyclopentenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:130224) is a aromatic amine (CHEBI:33860)
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