EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124203 - 1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:124203
ChEBI Name1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
Stars
DownloadsMolfile
FormulaC26H35FN4O6S
Net Charge0
Average Mass550.653
Monoisotopic Mass550.22613
SMILESCC(C)NC(=O)Nc1cccc2c1O[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H](C)CN([C@@H](C)CO)C2=O
InChIInChI=1S/C26H35FN4O6S/c1-16(2)28-26(34)29-22-8-6-7-21-24(22)37-23(17(3)13-31(25(21)33)18(4)15-32)14-30(5)38(35,36)20-11-9-19(27)10-12-20/h6-12,16-18,23,32H,13-15H2,1-5H3,(H2,28,29,34)/t17-,18-,23+/m0/s1
InChIKeyYHAGKJIQSXBQKF-IUKKYPGJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea (CHEBI:124203) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35645LINCS