EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100154 - N-[(2S,4aS,12aS)-2-[2-(cyclopentylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide

ChEBI IDCHEBI:100154
ChEBI NameN-[(2S,4aS,12aS)-2-[2-(cyclopentylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide
Stars
DownloadsMolfile
FormulaC26H32N4O6
Net Charge0
Average Mass496.564
Monoisotopic Mass496.23218
SMILESCc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NC4CCCC4)O[C@@H]2CO3)no1
InChIInChI=1S/C26H32N4O6/c1-15-11-20(29-36-15)25(32)28-17-7-10-22-19(12-17)26(33)30(2)21-9-8-18(35-23(21)14-34-22)13-24(31)27-16-5-3-4-6-16/h7,10-12,16,18,21,23H,3-6,8-9,13-14H2,1-2H3,(H,27,31)(H,28,32)/t18-,21-,23+/m0/s1
InChIKeyOWLQYYZEQLHDAT-AVCGJXAMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,4aS,12aS)-2-[2-(cyclopentylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide (CHEBI:100154) is a aromatic amide (CHEBI:62733)
N-[(2S,4aS,12aS)-2-[2-(cyclopentylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide (CHEBI:100154) is a heteroarene (CHEBI:33833)
Manual XrefsDatabases
LSM-11531LINCS