CHEBI:126372 - (6R,7S,8R)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6R,7S,8R)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
ChEBI ID CHEBI:126372
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H26FN3O3
Net Charge 0
Average Mass 435.492
Monoisotopic Mass 435.19582
InChI InChI=1S/C25H26FN3O3/c1-2-3-4-6-17-9-11-18(12-10-17)24-21-14-28(15-23(31)29(21)22(24)16-30)25(32)27-20-8-5-7-19(26)13-20/h5,7-13,21-22,24,30H,2-3,14-16H2,1H3,(H,27,32)/t21-,22-,24-/m0/s1
InChIKey UCBYLLYLADIOJP-FIXSFTCYSA-N
SMILES CCCC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4=CC(=CC=C4)F
ChEBI Ontology
Outgoing (6R,7S,8R)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126372) is a azetidines (CHEBI:38777)
(6R,7S,8R)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126372) is a benzenes (CHEBI:22712)
(6R,7S,8R)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide (CHEBI:126372) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-37937 LINCS
View more database links