CHEBI:125879 - (6R,7S,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7S,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
ChEBI ID CHEBI:125879
Stars This entity has been manually annotated by a third party.
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Formula C26H29N3O4
Net Charge 0
Average Mass 447.527
Monoisotopic Mass 447.21581
InChI InChI=1S/C26H29N3O4/c1-33-21-12-10-20(11-13-21)27-26(32)28-14-22-25(23(16-30)29(22)24(31)15-28)19-8-6-18(7-9-19)17-4-2-3-5-17/h4,6-13,22-23,25,30H,2-3,5,14-16H2,1H3,(H,27,32)/t22-,23-,25-/m0/s1
InChIKey IPPKAUYPGZFFKS-LSQMVHIFSA-N
SMILES COC1=CC=C(C=C1)NC(=O)N2C[C@H]3[C@@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CCCC5
ChEBI Ontology
Outgoing (6R,7S,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:125879) is a azetidines (CHEBI:38777)
(6R,7S,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:125879) is a benzenes (CHEBI:22712)
(6R,7S,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-N-(4-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:125879) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-37446 LINCS
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