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CHEBI:111697 - N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:111697
ChEBI NameN-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-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](CO)N1C[C@H](C)[C@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O
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-/m0/s1
InChIKeyFYESYKULLQIDLV-ISCCLHIJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide (CHEBI:111697) is a pyridinecarboxamide (CHEBI:25529)
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