CHEBI:127327 - (6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
ChEBI ID CHEBI:127327
Stars This entity has been manually annotated by a third party.
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Formula C27H31N3O4
Net Charge 0
Average Mass 461.554
Monoisotopic Mass 461.23146
InChI InChI=1S/C27H31N3O4/c1-34-22-9-5-8-21(14-22)28-27(33)29-15-23-26(24(17-31)30(23)25(32)16-29)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h5-6,8-14,23-24,26,31H,2-4,7,15-17H2,1H3,(H,28,33)/t23-,24-,26+/m0/s1
InChIKey ACZHHJQQIHGUIJ-KYPHJKQUSA-N
SMILES COC1=CC=CC(=C1)NC(=O)N2C[C@H]3[C@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C5=CCCCC5
ChEBI Ontology
Outgoing (6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:127327) is a azetidines (CHEBI:38777)
(6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:127327) is a benzenes (CHEBI:22712)
(6R,7R,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-N-(3-methoxyphenyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:127327) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-38886 LINCS
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