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

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ChEBI Name 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 ID CHEBI:111697
Stars This entity has been manually annotated by a third party.
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Formula C29H40N4O4
Net Charge 0
Average Mass 508.653
Monoisotopic Mass 508.30496
InChI InChI=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
InChIKey FYESYKULLQIDLV-ISCCLHIJSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)CC4CCCCC4)[C@H](C)CO
ChEBI Ontology
Outgoing 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)
Manual Xref Database
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