CHEBI:111791 - N-[(2R,3S)-2-[[benzenesulfonyl(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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ChEBI Name N-[(2R,3S)-2-[[benzenesulfonyl(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 ID CHEBI:111791
Stars This entity has been manually annotated by a third party.
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Formula C28H32N4O6S
Net Charge 0
Average Mass 552.644
Monoisotopic Mass 552.20426
InChI InChI=1S/C28H32N4O6S/c1-19-16-32(20(2)18-33)28(35)23-10-7-11-24(30-27(34)21-12-14-29-15-13-21)26(23)38-25(19)17-31(3)39(36,37)22-8-5-4-6-9-22/h4-15,19-20,25,33H,16-18H2,1-3H3,(H,30,34)/t19-,20-,25-/m0/s1
InChIKey LXJZSYGAJCUBQM-RLSLOFABSA-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)C4=CC=CC=C4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-2-[[benzenesulfonyl(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:111791) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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