EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123848 - N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

ChEBI IDCHEBI:123848
ChEBI NameN-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
Stars
DownloadsMolfile
FormulaC26H42N4O4
Net Charge0
Average Mass474.646
Monoisotopic Mass474.32061
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@H]1CN(C)CC1CC1
InChIInChI=1S/C26H42N4O4/c1-18-14-30(19(2)17-31)26(33)22-13-21(27-25(32)7-6-12-28(3)4)10-11-23(22)34-24(18)16-29(5)15-20-8-9-20/h10-11,13,18-20,24,31H,6-9,12,14-17H2,1-5H3,(H,27,32)/t18-,19-,24-/m0/s1
InChIKeyWWPXFQLEPFTEHY-JXQFQVJHSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide (CHEBI:123848) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-35290LINCS