N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-[2-(3-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide (CHEBI:114002)

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CHEBI:114002 - N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-[2-(3-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide

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ChEBI ID	CHEBI:114002
ChEBI Name	N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-[2-(3-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide
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Downloads	Molfile

Formula	C30H37N3O6
Net Charge	0
Average Mass	535.641
Monoisotopic Mass	535.26824
SMILES	COc1cccc(C#Cc2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)C2CCOCC2)O3)c1
InChI	InChI=1S/C30H37N3O6/c1-20-17-33(21(2)19-34)30(36)26-15-23(9-8-22-6-5-7-25(14-22)37-4)16-31-28(26)39-27(20)18-32(3)29(35)24-10-12-38-13-11-24/h5-7,14-16,20-21,24,27,34H,10-13,17-19H2,1-4H3/t20-,21-,27-/m1/s1
InChIKey	QMNGWUQFDFUPIZ-LGVUCKNBSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-[2-(3-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide (CHEBI:114002) is a methoxybenzenes (CHEBI:51683)

Manual Xrefs	Databases
LSM-25434	LINCS