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CHEBI:124649 - N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:124649
ChEBI NameN-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
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FormulaC29H40N4O4
Net Charge0
Average Mass508.663
Monoisotopic Mass508.30496
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C29H40N4O4/c1-20-16-33(21(2)19-34)29(36)25-15-24(31-28(35)23-11-13-30-14-12-23)9-10-26(25)37-27(20)18-32(3)17-22-7-5-4-6-8-22/h9-15,20-22,27,34H,4-8,16-19H2,1-3H3,(H,31,35)/t20-,21+,27-/m1/s1
InChIKeyFYESYKULLQIDLV-PBDKAQRYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide (CHEBI:124649) is a pyridinecarboxamide (CHEBI:25529)
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