EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126313 - 1-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:126313
ChEBI Name1-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
Stars
DownloadsMolfile
FormulaC27H38N4O6S
Net Charge0
Average Mass546.690
Monoisotopic Mass546.25121
SMILESCC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c1ccccc1)O2
InChIInChI=1S/C27H38N4O6S/c1-18(2)28-27(34)29-22-11-12-24-21(13-22)14-26(33)31(20(4)17-32)15-19(3)25(37-24)16-30(5)38(35,36)23-9-7-6-8-10-23/h6-13,18-20,25,32H,14-17H2,1-5H3,(H2,28,29,34)/t19-,20+,25+/m1/s1
InChIKeyHGWAOVZJNBZMAA-RNHFSVANSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea (CHEBI:126313) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-37879LINCS