EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:113803 - N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide

ChEBI IDCHEBI:113803
ChEBI NameN-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
Stars
DownloadsMolfile
FormulaC21H33N3O5S
Net Charge0
Average Mass439.578
Monoisotopic Mass439.21409
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@H]1CN(C)CC1CC1
InChIInChI=1S/C21H33N3O5S/c1-14-10-24(15(2)13-25)21(26)18-9-17(22-30(4,27)28)7-8-19(18)29-20(14)12-23(3)11-16-5-6-16/h7-9,14-16,20,22,25H,5-6,10-13H2,1-4H3/t14-,15-,20-/m0/s1
InChIKeyBGZVNGLBILQJCV-AVYPCKFXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide (CHEBI:113803) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-25235LINCS