EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:113680 - N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide

ChEBI IDCHEBI:113680
ChEBI NameN-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
Stars
DownloadsMolfile
FormulaC32H36N4O5S
Net Charge0
Average Mass588.730
Monoisotopic Mass588.24064
SMILESCOc1ccc(CN(C)C[C@@H]2Oc3c(NC(=O)c4nc5ccccc5s4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C32H36N4O5S/c1-20-16-36(21(2)19-37)32(39)24-8-7-10-26(33-30(38)31-34-25-9-5-6-11-28(25)42-31)29(24)41-27(20)18-35(3)17-22-12-14-23(40-4)15-13-22/h5-15,20-21,27,37H,16-19H2,1-4H3,(H,33,38)/t20-,21+,27+/m1/s1
InChIKeyMFEIQJUBWNYYTI-BUEREQSYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide (CHEBI:113680) is a benzothiazoles (CHEBI:37947)
Manual XrefsDatabases
LSM-25112LINCS