CHEBI:127390 - (6S,7S,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,7S,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:127390
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H26N2O4S
Net Charge 0
Average Mass 438.541
Monoisotopic Mass 438.16133
InChI InChI=1S/C24H26N2O4S/c1-17(2)8-9-18-10-12-19(13-11-18)24-21-14-25(15-23(28)26(21)22(24)16-27)31(29,30)20-6-4-3-5-7-20/h3-7,10-13,17,21-22,24,27H,14-16H2,1-2H3/t21-,22+,24+/m1/s1
InChIKey VZUXFTGZMHEPAS-GPXNEJASSA-N
SMILES CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@H]2CO)S(=O)(=O)C4=CC=CC=C4
ChEBI Ontology
Outgoing (6S,7S,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127390) is a azetidines (CHEBI:38777)
(6S,7S,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127390) is a benzenes (CHEBI:22712)
(6S,7S,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127390) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-38948 LINCS
View more database links