(6R,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130387)

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CHEBI:130387 - (6R,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

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ChEBI ID	CHEBI:130387
ChEBI Name	(6R,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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Downloads	Molfile

Formula	C29H27N3O4
Net Charge	0
Average Mass	481.552
Monoisotopic Mass	481.20016
SMILES	COc1cccc(C#Cc2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)Cc5cccnc5)C[C@@H]34)cc2)c1
InChI	InChI=1S/C29H27N3O4/c1-36-24-6-2-4-21(14-24)8-7-20-9-11-23(12-10-20)29-25-17-31(18-28(35)32(25)26(29)19-33)27(34)15-22-5-3-13-30-16-22/h2-6,9-14,16,25-26,29,33H,15,17-19H2,1H3/t25-,26-,29+/m0/s1
InChIKey	CJSRFBOGAUFXII-QXTIUPHPSA-N

ChEBI Ontology

Outgoing Relation(s)
	(6R,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130387) is a azetidines (CHEBI:38777)
	(6R,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130387) is a benzenes (CHEBI:22712)
	(6R,7R,8R)-8-(hydroxymethyl)-7-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130387) is a ring assembly (CHEBI:36820)

Manual Xrefs	Databases
LSM-41936	LINCS