CHEBI:108811 - (2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one ChEBI ID CHEBI:108811 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H37N3O5 Net Charge 0 Average Mass 483.601 Monoisotopic Mass 483.27332 InChI InChI=1S/C27H37N3O5/c1-18-13-30(19(2)16-31)27(32)12-21-11-22(28(3)4)7-9-23(21)35-26(18)15-29(5)14-20-6-8-24-25(10-20)34-17-33-24/h6-11,18-19,26,31H,12-17H2,1-5H3/t18-,19-,26+/m0/s1 InChIKey VAKWQMKHOINUIK-LZJCXSABSA-N SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)CC3=CC4=C(C=C3)OCO4)[C@@H](C)CO ChEBI Ontology Outgoing (2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:108811) is a benzodioxoles (CHEBI:38298) Manual Xref Database LSM-20210 LINCS View more database links