EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100376 - 2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo(5-thiazolyl)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

ChEBI IDCHEBI:100376
ChEBI Name2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo(5-thiazolyl)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
Stars
DownloadsMolfile
FormulaC21H23N3O6S
Net Charge0
Average Mass445.497
Monoisotopic Mass445.13076
SMILESCOC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cncs4)cc3C(=O)N2C)O1
InChIInChI=1S/C21H23N3O6S/c1-24-15-5-4-13(8-19(25)28-2)30-17(15)10-29-16-6-3-12(7-14(16)21(24)27)23-20(26)18-9-22-11-31-18/h3,6-7,9,11,13,15,17H,4-5,8,10H2,1-2H3,(H,23,26)/t13-,15+,17-/m1/s1
InChIKeyUYHAGXSFPLQSEJ-UKPHBRMFSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo(5-thiazolyl)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:100376) is a aromatic amide (CHEBI:62733)
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo(5-thiazolyl)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:100376) is a thiazoles (CHEBI:48901)
Manual XrefsDatabases
LSM-11751LINCS