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CHEBI:113689 - N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:113689
ChEBI NameN-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
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FormulaC26H34N4O4
Net Charge0
Average Mass466.582
Monoisotopic Mass466.25801
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H]1CN(C)CC1CC1
InChIInChI=1S/C26H34N4O4/c1-17-13-30(18(2)16-31)26(33)21-5-4-6-22(28-25(32)20-9-11-27-12-10-20)24(21)34-23(17)15-29(3)14-19-7-8-19/h4-6,9-12,17-19,23,31H,7-8,13-16H2,1-3H3,(H,28,32)/t17-,18+,23+/m1/s1
InChIKeyBMWRPMHXUFNAQO-STSQHVNTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (CHEBI:113689) is a pyridinecarboxamide (CHEBI:25529)
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