CHEBI:127011 - (6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
ChEBI ID CHEBI:127011
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H26N2O2
Net Charge 0
Average Mass 338.444
Monoisotopic Mass 338.19943
InChI InChI=1S/C21H26N2O2/c24-14-19-21(18-12-22-13-20(25)23(18)19)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h8-11,15,18-19,21-22,24H,1-5,12-14H2/t18-,19+,21-/m1/s1
InChIKey XPSHGEXNPFHUTP-SVFBPWRDSA-N
SMILES C1CCC(CC1)C#CC2=CC=C(C=C2)[C@@H]3[C@H]4CNCC(=O)N4[C@H]3CO
ChEBI Ontology
Outgoing (6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127011) is a azetidines (CHEBI:38777)
(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127011) is a benzenes (CHEBI:22712)
(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:127011) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-38574 LINCS
View more database links