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CHEBI:96080 - N-[[(2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide

ChEBI IDCHEBI:96080
ChEBI NameN-[[(2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
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Last Modified7 March 2018
DownloadsMolfile
FormulaC25H32N6O4
Net Charge0
Average Mass480.569
Monoisotopic Mass480.24850
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)C(=O)c1cnccn1
InChIInChI=1S/C25H32N6O4/c1-17-14-31(18(2)16-32)24(33)20-11-19(7-6-10-29(3)4)12-28-23(20)35-22(17)15-30(5)25(34)21-13-26-8-9-27-21/h8-9,11-13,17-18,22,32H,10,14-16H2,1-5H3/t17-,18+,22-/m1/s1
InChIKeyGDMNEEJFLGDCSP-KGVIQGDOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide (CHEBI:96080) is a pyrazines (CHEBI:38314)
N-[[(2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide (CHEBI:96080) is a tertiary carboxamide (CHEBI:140326)
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