EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:106964 - 4-chloro-N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzenesulfonamide

ChEBI IDCHEBI:106964
ChEBI Name4-chloro-N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzenesulfonamide
Stars
DownloadsMolfile
FormulaC30H44ClN3O6S
Net Charge0
Average Mass610.217
Monoisotopic Mass609.26393
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@H](C)Oc2ccc(N(C)C)cc2C1=O
InChIInChI=1S/C30H44ClN3O6S/c1-21-18-34(22(2)20-35)30(36)27-17-25(32(4)5)12-15-28(27)40-23(3)9-7-8-16-39-29(21)19-33(6)41(37,38)26-13-10-24(31)11-14-26/h10-15,17,21-23,29,35H,7-9,16,18-20H2,1-6H3/t21-,22+,23-,29-/m0/s1
InChIKeyLZRQCLPDICKWHD-OJNHJINQSA-N
ChEBI Ontology
Outgoing Relation(s)
4-chloro-N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:106964) is a azamacrocycle (CHEBI:52898)
4-chloro-N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:106964) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-18318LINCS