EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:93203 - 1-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:93203
ChEBI Name1-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea
Stars
DownloadsMolfile
FormulaC33H35ClN4O6S
Net Charge0
Average Mass651.185
Monoisotopic Mass650.19658
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C33H35ClN4O6S/c1-21-18-38(22(2)20-39)32(40)27-11-7-13-29(36-33(41)35-28-12-6-9-23-8-4-5-10-26(23)28)31(27)44-30(21)19-37(3)45(42,43)25-16-14-24(34)15-17-25/h4-17,21-22,30,39H,18-20H2,1-3H3,(H2,35,36,41)/t21-,22+,30+/m1/s1
InChIKeyNPOUMSIYVDQJDX-DGIFUFQNSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea (CHEBI:93203) is a naphthalenes (CHEBI:25477)
Manual XrefsDatabases
LSM-3532LINCS