CHEBI:127462 - (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:127462
Stars This entity has been manually annotated by a third party.
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Formula C27H29N3O3
Net Charge 0
Average Mass 443.538
Monoisotopic Mass 443.22089
InChI InChI=1S/C27H29N3O3/c31-18-24-26(21-12-10-20(11-13-21)8-3-7-19-5-1-2-6-19)23-16-29(17-25(32)30(23)24)27(33)22-9-4-14-28-15-22/h4,9-15,19,23-24,26,31H,1-2,5-7,16-18H2/t23-,24+,26-/m1/s1
InChIKey LGHGVWYOLQGVPK-RMTZWNOUSA-N
SMILES C1CCC(C1)CC#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=CN=CC=C5
ChEBI Ontology
Outgoing (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127462) is a azetidines (CHEBI:38777)
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127462) is a benzenes (CHEBI:22712)
(6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127462) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-39020 LINCS
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