CHEBI:129994 - N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide ChEBI ID CHEBI:129994 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 C32H37N3O6 Net Charge 0 Average Mass 559.654 Monoisotopic Mass 559.26824 InChI InChI=1S/C32H37N3O6/c1-21-16-35(22(2)19-36)32(38)26-15-25(33-31(37)14-23-7-5-4-6-8-23)10-12-27(26)41-30(21)18-34(3)17-24-9-11-28-29(13-24)40-20-39-28/h4-13,15,21-22,30,36H,14,16-20H2,1-3H3,(H,33,37)/t21-,22+,30+/m0/s1 InChIKey PGWILGQCTOMTBZ-IABYTQIASA-N SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO ChEBI Ontology Outgoing N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide (CHEBI:129994) is a acetamides (CHEBI:22160) Manual Xref Database LSM-41545 LINCS View more database links