EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123700 - N-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide

ChEBI IDCHEBI:123700
ChEBI NameN-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
Stars
DownloadsMolfile
FormulaC30H38N4O8
Net Charge0
Average Mass582.654
Monoisotopic Mass582.26896
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)C3CCOCC3)c2O[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C30H38N4O8/c1-18-14-34(19(2)16-35)29(37)22-5-4-6-23(32-28(36)20-9-11-39-12-10-20)27(22)42-26(18)15-33(3)30(38)31-21-7-8-24-25(13-21)41-17-40-24/h4-8,13,18-20,26,35H,9-12,14-17H2,1-3H3,(H,31,38)(H,32,36)/t18-,19+,26-/m1/s1
InChIKeyLWKACWSSJQZAMU-UYXZNNOOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide (CHEBI:123700) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-35142LINCS