CHEBI:126987 - (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
ChEBI ID CHEBI:126987
Stars This entity has been manually annotated by a third party.
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Formula C25H33N3O3
Net Charge 0
Average Mass 423.549
Monoisotopic Mass 423.25219
InChI InChI=1S/C25H33N3O3/c1-2-14-26-25(31)27-15-21-24(22(17-29)28(21)23(30)16-27)20-12-10-19(11-13-20)9-5-8-18-6-3-4-7-18/h10-13,18,21-22,24,29H,2-4,6-8,14-17H2,1H3,(H,26,31)/t21-,22+,24-/m1/s1
InChIKey JRGGKERBHXAIAP-AOHZBQACSA-N
SMILES CCCNC(=O)N1C[C@@H]2[C@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)C#CCC4CCCC4
ChEBI Ontology
Outgoing (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126987) is a azetidines (CHEBI:38777)
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126987) is a benzenes (CHEBI:22712)
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-2-oxo-N-propyl-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126987) is a ring assembly (CHEBI:36820)
Manual Xref Database
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