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CHEBI:103698 - (2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:103698
ChEBI Name(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC28H38N4O3
Net Charge0
Average Mass478.637
Monoisotopic Mass478.29439
SMILESCc1cccc(CN(C)C[C@@H]2Oc3ncc(C#CCN(C)C)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)c1
InChIInChI=1S/C28H38N4O3/c1-20-9-7-10-24(13-20)17-31(6)18-26-21(2)16-32(22(3)19-33)28(34)25-14-23(11-8-12-30(4)5)15-29-27(25)35-26/h7,9-10,13-15,21-22,26,33H,12,16-19H2,1-6H3/t21-,22+,26-/m0/s1
InChIKeyULRIVBOCOZEEJW-VRUMLPLGSA-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)
(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:103698) is a aromatic amine (CHEBI:33860)
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