EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123850 - N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide

ChEBI IDCHEBI:123850
ChEBI NameN-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide
Stars
DownloadsMolfile
FormulaC28H39N3O6S
Net Charge0
Average Mass545.702
Monoisotopic Mass545.25596
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC2CC2)O3)cc1
InChIInChI=1S/C28H39N3O6S/c1-19-15-31(20(2)18-32)28(33)14-22-13-23(29-38(34,35)25-10-8-24(36-4)9-11-25)7-12-26(22)37-27(19)17-30(3)16-21-5-6-21/h7-13,19-21,27,29,32H,5-6,14-18H2,1-4H3/t19-,20-,27-/m1/s1
InChIKeyUJDQBCQJOGKHTG-SEXOINJZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide (CHEBI:123850) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35292LINCS