CHEBI:96623 - N-[[(2R,3R)-8-(1-cyclopentenyl)-5-[(2R)-1-hydroxypropan-2-yl]-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 IDCHEBI:96623
ChEBI NameN-[[(2R,3R)-8-(1-cyclopentenyl)-5-[(2R)-1-hydroxypropan-2-yl]-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
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FormulaC28H33N3O6
Net Charge0
Average Mass507.587
Monoisotopic Mass507.23694
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@H]1CN(C)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C28H33N3O6/c1-17-13-31(18(2)15-32)28(34)22-10-21(19-6-4-5-7-19)12-29-26(22)37-25(17)14-30(3)27(33)20-8-9-23-24(11-20)36-16-35-23/h6,8-12,17-18,25,32H,4-5,7,13-16H2,1-3H3/t17-,18-,25+/m1/s1
InChIKeyPGLSEMLPCXRKER-GAKIBJFNSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2R,3R)-8-(1-cyclopentenyl)-5-[(2R)-1-hydroxypropan-2-yl]-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:96623) is a benzodioxoles (CHEBI:38298)
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