EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:113755 - N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide

Default Structure
ChEBI IDCHEBI:113755
ChEBI NameN-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
Stars
DownloadsMolfile
FormulaC33H42N4O4S
Net Charge0
Average Mass590.790
Monoisotopic Mass590.29268
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CCCCC2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O
InChIInChI=1S/C33H42N4O4S/c1-22-18-37(23(2)21-38)33(40)27-10-7-11-28(30(27)41-29(22)20-36(3)19-24-8-5-4-6-9-24)35-31(39)25-12-14-26(15-13-25)32-34-16-17-42-32/h7,10-17,22-24,29,38H,4-6,8-9,18-21H2,1-3H3,(H,35,39)/t22-,23+,29-/m0/s1
InChIKeyZVHZCYJHGRNXGN-CTWZREHQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide (CHEBI:113755) is a benzamides (CHEBI:22702)
Manual XrefsDatabases
LSM-25187LINCS