CHEBI:105185 - N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
ChEBI ID CHEBI:105185
Stars This entity has been manually annotated by a third party.
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Formula C32H33N3O7
Net Charge 0
Average Mass 571.622
Monoisotopic Mass 571.23185
InChI InChI=1S/C32H33N3O7/c1-20-16-35(21(2)18-36)32(38)25-13-22(9-10-23-7-5-6-8-26(23)39-4)15-33-30(25)42-29(20)17-34(3)31(37)24-11-12-27-28(14-24)41-19-40-27/h5-8,11-15,20-21,29,36H,16-19H2,1-4H3/t20-,21-,29+/m0/s1
InChIKey MIOBFWIJYZOKSQ-LRZFZUCMSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=CC=C3OC)O[C@@H]1CN(C)C(=O)C4=CC5=C(C=C4)OCO5)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide (CHEBI:105185) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-16548 LINCS
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