(6S,7S,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128618)

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CHEBI:128618 - (6S,7S,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

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ChEBI ID	CHEBI:128618
ChEBI Name	(6S,7S,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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Formula	C29H25FN2O4
Net Charge	0
Average Mass	484.527
Monoisotopic Mass	484.17984
SMILES	COc1ccc(C#Cc2ccc([C@H]3[C@H]4CN(C(=O)c5ccc(F)cc5)CC(=O)N4[C@H]3CO)cc2)cc1
InChI	InChI=1S/C29H25FN2O4/c1-36-24-14-6-20(7-15-24)3-2-19-4-8-21(9-5-19)28-25-16-31(17-27(34)32(25)26(28)18-33)29(35)22-10-12-23(30)13-11-22/h4-15,25-26,28,33H,16-18H2,1H3/t25-,26+,28+/m1/s1
InChIKey	UHEZHVIWXIFSSE-PBWSGDRGSA-N

ChEBI Ontology

Outgoing Relation(s)
	(6S,7S,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128618) is a azetidines (CHEBI:38777)
	(6S,7S,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128618) is a benzenes (CHEBI:22712)
	(6S,7S,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:128618) is a ring assembly (CHEBI:36820)

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