CHEBI:108779 - N-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

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ChEBI Name N-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
ChEBI ID CHEBI:108779
Stars This entity has been manually annotated by a third party.
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Formula C26H37N3O6S
Net Charge 0
Average Mass 519.656
Monoisotopic Mass 519.24031
InChI InChI=1S/C26H37N3O6S/c1-18-15-29(19(2)17-30)26(31)14-20-13-21(27(3)4)7-12-24(20)35-25(18)16-28(5)36(32,33)23-10-8-22(34-6)9-11-23/h7-13,18-19,25,30H,14-17H2,1-6H3/t18-,19+,25-/m1/s1
InChIKey JDKUWABUTZZKAJ-HHJKRLRDSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide (CHEBI:108779) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-20178 LINCS
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