CHEBI:124799 - N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-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-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
ChEBI ID CHEBI:124799
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H39N3O6
Net Charge 0
Average Mass 573.681
Monoisotopic Mass 573.28389
InChI InChI=1S/C33H39N3O6/c1-22-17-36(23(2)20-37)33(39)16-26-15-27(34-32(38)14-24-7-5-4-6-8-24)10-12-28(26)42-31(22)19-35(3)18-25-9-11-29-30(13-25)41-21-40-29/h4-13,15,22-23,31,37H,14,16-21H2,1-3H3,(H,34,38)/t22-,23+,31+/m0/s1
InChIKey WEABPWUDUMFAMI-INEJIFKHSA-N
SMILES C[C@H]1CN(C(=O)CC2=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-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide (CHEBI:124799) is a acetamides (CHEBI:22160)
Manual Xref Database
LSM-36241 LINCS
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