EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124381 - N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:124381
ChEBI NameN-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
Stars
DownloadsMolfile
FormulaC26H32FN3O6S
Net Charge0
Average Mass533.622
Monoisotopic Mass533.19958
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ccc(NC(=O)C3CC3)cc2C1=O
InChIInChI=1S/C26H32FN3O6S/c1-16-13-30(17(2)15-31)26(33)22-12-20(28-25(32)18-4-5-18)8-11-23(22)36-24(16)14-29(3)37(34,35)21-9-6-19(27)7-10-21/h6-12,16-18,24,31H,4-5,13-15H2,1-3H3,(H,28,32)/t16-,17+,24+/m0/s1
InChIKeyAVAQDGZIUQEYTO-OBWXTZQISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide (CHEBI:124381) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35823LINCS