CHEBI:129669 - (6R,7S,8S)-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7S,8S)-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:129669
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H25N3O3
Net Charge 0
Average Mass 403.475
Monoisotopic Mass 403.18959
InChI InChI=1S/C24H25N3O3/c1-2-3-4-6-17-8-10-18(11-9-17)23-20-14-26(15-22(29)27(20)21(23)16-28)24(30)19-7-5-12-25-13-19/h5,7-13,20-21,23,28H,2-3,14-16H2,1H3/t20-,21+,23-/m0/s1
InChIKey GFTMAWDXPFZQQI-XJUOHMSHSA-N
SMILES CCCC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)C(=O)C4=CN=CC=C4
ChEBI Ontology
Outgoing (6R,7S,8S)-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129669) is a azetidines (CHEBI:38777)
(6R,7S,8S)-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129669) is a benzenes (CHEBI:22712)
(6R,7S,8S)-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129669) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41220 LINCS
View more database links