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CHEBI:111580 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide

ChEBI IDCHEBI:111580
ChEBI NameN-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
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Last Modified7 March 2018
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FormulaC21H27N5O4
Net Charge0
Average Mass413.478
Monoisotopic Mass413.20630
SMILESCNC[C@H]1Oc2c(NC(=O)c3cnccn3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C21H27N5O4/c1-13-11-26(14(2)12-27)21(29)15-5-4-6-16(19(15)30-18(13)10-22-3)25-20(28)17-9-23-7-8-24-17/h4-9,13-14,18,22,27H,10-12H2,1-3H3,(H,25,28)/t13-,14-,18+/m0/s1
InChIKeyTWHSADQACYCNBZ-SUNYJGFJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:111580) is a pyrazines (CHEBI:38314)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:111580) is a secondary carboxamide (CHEBI:140325)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:111580) is a tertiary carboxamide (CHEBI:140326)
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