EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124179 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:124179
ChEBI NameN-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide
Stars
DownloadsMolfile
FormulaC25H39N3O6S
Net Charge0
Average Mass509.669
Monoisotopic Mass509.25596
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)S(C)(=O)=O
InChIInChI=1S/C25H39N3O6S/c1-17-14-28(18(2)16-29)24(30)13-20-12-21(26-25(31)19-8-6-5-7-9-19)10-11-22(20)34-23(17)15-27(3)35(4,32)33/h10-12,17-19,23,29H,5-9,13-16H2,1-4H3,(H,26,31)/t17-,18-,23-/m1/s1
InChIKeyVAIWTMCBSHLYHX-PMAPCBKXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide (CHEBI:124179) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-35621LINCS