CHEBI:108837 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

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ChEBI Name N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
ChEBI ID CHEBI:108837
Stars This entity has been manually annotated by a third party.
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Formula C18H29N3O5S
Net Charge 0
Average Mass 399.507
Monoisotopic Mass 399.18279
InChI InChI=1S/C18H29N3O5S/c1-12-10-21(13(2)11-22)18(23)8-14-7-15(20-27(4,24)25)5-6-16(14)26-17(12)9-19-3/h5-7,12-13,17,19-20,22H,8-11H2,1-4H3/t12-,13-,17-/m1/s1
InChIKey XOTYHNIEAMYTDW-PBFPGSCMSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@@H]1CNC)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (CHEBI:108837) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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