EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124355 - 1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:124355
ChEBI Name1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea
Stars
DownloadsMolfile
FormulaC28H34N4O6S
Net Charge0
Average Mass554.669
Monoisotopic Mass554.21991
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O[C@H]1CN(C)S(C)(=O)=O
InChIInChI=1S/C28H34N4O6S/c1-18-15-32(19(2)17-33)27(34)22-12-8-14-24(26(22)38-25(18)16-31(3)39(4,36)37)30-28(35)29-23-13-7-10-20-9-5-6-11-21(20)23/h5-14,18-19,25,33H,15-17H2,1-4H3,(H2,29,30,35)/t18-,19-,25-/m0/s1
InChIKeyOUJIUWARBQHZER-MHPIHPPYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea (CHEBI:124355) is a naphthalenes (CHEBI:25477)
Manual XrefsDatabases
LSM-35797LINCS