EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123919 - N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

ChEBI IDCHEBI:123919
ChEBI NameN-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
Stars
DownloadsMolfile
FormulaC27H39F3N4O5
Net Charge0
Average Mass556.626
Monoisotopic Mass556.28726
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O
InChIInChI=1S/C27H39F3N4O5/c1-17-14-34(18(2)16-35)25(37)21-13-20(31-24(36)11-12-27(28,29)30)9-10-22(21)39-23(17)15-33(3)26(38)32-19-7-5-4-6-8-19/h9-10,13,17-19,23,35H,4-8,11-12,14-16H2,1-3H3,(H,31,36)(H,32,38)/t17-,18+,23+/m0/s1
InChIKeyTZWYYOCTWDTYLD-YZZKKUAISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide (CHEBI:123919) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-35361LINCS