N-[[(2R,3S)-5-[(2R)-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:96473)

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CHEBI:96473 - N-[[(2R,3S)-5-[(2R)-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

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ChEBI ID	CHEBI:96473
ChEBI Name	N-[[(2R,3S)-5-[(2R)-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
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Downloads	Molfile

Formula	C32H33N3O7
Net Charge	0
Average Mass	571.630
Monoisotopic Mass	571.23185
SMILES	COc1ccccc1C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c1ccc3c(c1)OCO3)O2
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-FONBTEPMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(2R,3S)-5-[(2R)-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:96473) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-7852	LINCS