EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124883 - N-[[(2S,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide

ChEBI IDCHEBI:124883
ChEBI NameN-[[(2S,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
Stars
DownloadsMolfile
FormulaC22H33N5O5S
Net Charge0
Average Mass479.603
Monoisotopic Mass479.22024
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H]1CN(C)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C22H33N5O5S/c1-15-10-27(16(2)13-28)22(29)18-9-17(24(3)4)7-8-19(18)32-20(15)11-26(6)33(30,31)21-12-25(5)14-23-21/h7-9,12,14-16,20,28H,10-11,13H2,1-6H3/t15-,16-,20-/m1/s1
InChIKeyIMQZVRHTFBCMDC-JXXFODFXSA-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-[[(2S,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide (CHEBI:124883) is a dialkylarylamine (CHEBI:23665)
N-[[(2S,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide (CHEBI:124883) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
LSM-36325LINCS