EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129229 - 1-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:129229
ChEBI Name1-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
Stars
DownloadsMolfile
FormulaC25H40N4O4
Net Charge0
Average Mass460.619
Monoisotopic Mass460.30496
SMILESCC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC1CC1)O2
InChIInChI=1S/C25H40N4O4/c1-16(2)26-25(32)27-21-8-9-22-20(10-21)11-24(31)29(18(4)15-30)12-17(3)23(33-22)14-28(5)13-19-6-7-19/h8-10,16-19,23,30H,6-7,11-15H2,1-5H3,(H2,26,27,32)/t17-,18-,23-/m1/s1
InChIKeyUCKREMIJSDYNRS-PMAPCBKXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea (CHEBI:129229) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-40780LINCS