EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124583 - N-[(2R,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:124583
ChEBI NameN-[(2R,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
Stars
DownloadsMolfile
FormulaC27H33FN4O5
Net Charge0
Average Mass512.582
Monoisotopic Mass512.24350
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)C3CC3)c2O[C@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C27H33FN4O5/c1-16-13-32(17(2)15-33)26(35)21-5-4-6-22(30-25(34)18-7-8-18)24(21)37-23(16)14-31(3)27(36)29-20-11-9-19(28)10-12-20/h4-6,9-12,16-18,23,33H,7-8,13-15H2,1-3H3,(H,29,36)(H,30,34)/t16-,17-,23+/m1/s1
InChIKeyAAAGYPLVPQGIIN-QZMQVMSPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide (CHEBI:124583) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-36025LINCS