CHEBI:130401 - (6S,7S,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-1,4-diazabicyclo[4.2.0]octan-2-one

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ChEBI Name (6S,7S,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:130401
Stars This entity has been manually annotated by a third party.
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Formula C25H33N3O4
Net Charge 0
Average Mass 439.548
Monoisotopic Mass 439.24711
InChI InChI=1S/C25H33N3O4/c29-17-22-25(20-8-6-19(7-9-20)18-4-2-1-3-5-18)21-14-27(16-24(31)28(21)22)23(30)15-26-10-12-32-13-11-26/h4,6-9,21-22,25,29H,1-3,5,10-17H2/t21-,22+,25+/m1/s1
InChIKey PUBLBQUEMOUDCU-SLSDLSHTSA-N
SMILES C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)CN5CCOCC5
ChEBI Ontology
Outgoing (6S,7S,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130401) is a azetidines (CHEBI:38777)
(6S,7S,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130401) is a benzenes (CHEBI:22712)
(6S,7S,8R)-7-[4-(1-cyclohexenyl)phenyl]-8-(hydroxymethyl)-4-[2-(4-morpholinyl)-1-oxoethyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:130401) is a ring assembly (CHEBI:36820)
Manual Xref Database
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