EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111709 - N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-tetrazolyl)acetamide

ChEBI IDCHEBI:111709
ChEBI NameN-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-tetrazolyl)acetamide
Stars
DownloadsMolfile
FormulaC21H31N7O4
Net Charge0
Average Mass445.524
Monoisotopic Mass445.24375
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Cn3cnnn3)ccc2O[C@@H]1CN(C)C
InChIInChI=1S/C21H31N7O4/c1-14-9-28(15(2)12-29)21(31)8-16-7-17(23-20(30)11-27-13-22-24-25-27)5-6-18(16)32-19(14)10-26(3)4/h5-7,13-15,19,29H,8-12H2,1-4H3,(H,23,30)/t14-,15+,19-/m1/s1
InChIKeyFEGVFSOLSHLDDV-ZRGWGRIASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-tetrazolyl)acetamide (CHEBI:111709) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-23123LINCS