EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128338 - 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:128338
ChEBI Name1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
Stars
DownloadsMolfile
FormulaC21H34N4O6S
Net Charge0
Average Mass470.592
Monoisotopic Mass470.21991
SMILESCC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)S(C)(=O)=O)O2
InChIInChI=1S/C21H34N4O6S/c1-13(2)22-21(28)23-16-7-8-18-17(9-16)20(27)25(15(4)12-26)10-14(3)19(31-18)11-24(5)32(6,29)30/h7-9,13-15,19,26H,10-12H2,1-6H3,(H2,22,23,28)/t14-,15+,19+/m1/s1
InChIKeyIGDQWSJWXZKUIQ-VCBZYWHSSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea (CHEBI:128338) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-39893LINCS