EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124585 - N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:124585
ChEBI NameN-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
Stars
DownloadsMolfile
FormulaC26H35N5O6
Net Charge0
Average Mass513.595
Monoisotopic Mass513.25873
SMILESCc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)C3CC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C26H35N5O6/c1-14-11-31(15(2)13-32)25(34)20-10-19(27-24(33)18-6-7-18)8-9-21(20)36-22(14)12-30(5)26(35)28-23-16(3)29-37-17(23)4/h8-10,14-15,18,22,32H,6-7,11-13H2,1-5H3,(H,27,33)(H,28,35)/t14-,15-,22-/m0/s1
InChIKeyLKJDRHKGWARNGG-DFFLPILJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide (CHEBI:124585) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-36027LINCS