CHEBI:124021 - N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
ChEBI ID CHEBI:124021
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H35N3O7S
Net Charge 0
Average Mass 533.639
Monoisotopic Mass 533.21957
InChI InChI=1S/C26H35N3O7S/c1-17-12-29(18(2)15-30)26(31)11-20-10-21(27-37(4,32)33)6-8-22(20)36-25(17)14-28(3)13-19-5-7-23-24(9-19)35-16-34-23/h5-10,17-18,25,27,30H,11-16H2,1-4H3/t17-,18-,25-/m0/s1
InChIKey HVHFORLLVALCCX-RPPIVITFSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H]1CN(C)CC3=CC4=C(C=C3)OCO4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (CHEBI:124021) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35463 LINCS
View more database links