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CHEBI:130228 - (2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:130228
ChEBI Name(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC33H40N4O3
Net Charge0
Average Mass540.708
Monoisotopic Mass540.31004
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H40N4O3/c1-24-20-37(25(2)23-38)33(39)30-18-27(10-9-17-35(3)4)19-34-32(30)40-31(24)22-36(5)21-26-13-15-29(16-14-26)28-11-7-6-8-12-28/h6-8,11-16,18-19,24-25,31,38H,17,20-23H2,1-5H3/t24-,25-,31-/m0/s1
InChIKeyIKGSUPSSSGZUEK-WBXFWKJNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:130228) is a biphenyls (CHEBI:22888)
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