EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124733 - 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]-2-(1-methyl-3-indolyl)acetamide

ChEBI IDCHEBI:124733
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]-2-(1-methyl-3-indolyl)acetamide
Stars
DownloadsMolfile
FormulaC31H40N4O4
Net Charge0
Average Mass532.685
Monoisotopic Mass532.30496
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)CC1CC1
InChIInChI=1S/C31H40N4O4/c1-20-15-35(21(2)19-36)31(38)26-14-24(11-12-28(26)39-29(20)18-33(3)16-22-9-10-22)32-30(37)13-23-17-34(4)27-8-6-5-7-25(23)27/h5-8,11-12,14,17,20-22,29,36H,9-10,13,15-16,18-19H2,1-4H3,(H,32,37)/t20-,21-,29-/m0/s1
InChIKeyQHWLVTOHPDSMBE-WURXVLGASA-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]-2-(1-methyl-3-indolyl)acetamide (CHEBI:124733) is a indoles (CHEBI:24828)
Manual XrefsDatabases
LSM-36175LINCS