EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124278 - N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide

ChEBI IDCHEBI:124278
ChEBI NameN-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide
Stars
DownloadsMolfile
FormulaC19H31N3O5S
Net Charge0
Average Mass413.540
Monoisotopic Mass413.19844
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(C)(=O)=O)Oc2c(cccc2N(C)C)C1=O
InChIInChI=1S/C19H31N3O5S/c1-13-10-22(14(2)12-23)19(24)15-8-7-9-16(20(3)4)18(15)27-17(13)11-21(5)28(6,25)26/h7-9,13-14,17,23H,10-12H2,1-6H3/t13-,14+,17-/m0/s1
InChIKeyCXRPMIYDJFSMOS-VBQJREDUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide (CHEBI:124278) is a dialkylarylamine (CHEBI:23665)
N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide (CHEBI:124278) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
LSM-35720LINCS