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CHEBI:130307 - (2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:130307
ChEBI Name(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC27H35FN4O3
Net Charge0
Average Mass482.600
Monoisotopic Mass482.26932
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C27H35FN4O3/c1-19-15-32(20(2)18-33)27(34)24-13-22(7-6-12-30(3)4)14-29-26(24)35-25(19)17-31(5)16-21-8-10-23(28)11-9-21/h8-11,13-14,19-20,25,33H,12,15-18H2,1-5H3/t19-,20-,25+/m0/s1
InChIKeyONQMEPPIAFCLFG-ZYLNGJIFSA-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,3S)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:130307) is a aromatic amine (CHEBI:33860)
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