EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129647 - N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:129647
ChEBI NameN-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
Stars
DownloadsMolfile
FormulaC21H31N3O4
Net Charge0
Average Mass389.496
Monoisotopic Mass389.23146
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CC3)ccc2O[C@@H]1CN(C)C
InChIInChI=1S/C21H31N3O4/c1-13-10-24(14(2)12-25)21(27)17-9-16(22-20(26)15-5-6-15)7-8-18(17)28-19(13)11-23(3)4/h7-9,13-15,19,25H,5-6,10-12H2,1-4H3,(H,22,26)/t13-,14-,19+/m0/s1
InChIKeyCJOIYZPSQGIVSU-CKFHNAJUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide (CHEBI:129647) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-41198LINCS