CHEBI:111746 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

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ChEBI Name N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
ChEBI ID CHEBI:111746
Stars This entity has been manually annotated by a third party.
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Formula C23H30N4O6S
Net Charge 0
Average Mass 490.574
Monoisotopic Mass 490.18861
InChI InChI=1S/C23H30N4O6S/c1-15-12-27(16(2)14-28)23(30)19-11-18(25-22(29)17-7-9-24-10-8-17)5-6-20(19)33-21(15)13-26(3)34(4,31)32/h5-11,15-16,21,28H,12-14H2,1-4H3,(H,25,29)/t15-,16-,21+/m0/s1
InChIKey WMAXTMTUHGJOAC-CKJXQJPGSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide (CHEBI:111746) is a pyridinecarboxamide (CHEBI:25529)
Manual Xref Database
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