CHEBI:123851 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
ChEBI ID CHEBI:123851
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H32N4O5S
Net Charge 0
Average Mass 476.591
Monoisotopic Mass 476.20934
InChI InChI=1S/C23H32N4O5S/c1-16-12-27(17(2)15-28)23(29)20-11-19(25-33(4,30)31)5-6-21(20)32-22(16)14-26(3)13-18-7-9-24-10-8-18/h5-11,16-17,22,25,28H,12-15H2,1-4H3/t16-,17-,22-/m0/s1
InChIKey OLZDAYFSXQRXFW-HOIFWPIMSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H]1CN(C)CC3=CC=NC=C3)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide (CHEBI:123851) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35293 LINCS
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