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CHEBI:100857 - 2-[(2S,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

ChEBI IDCHEBI:100857
ChEBI Name2-[(2S,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
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DownloadsMolfile
FormulaC23H25N3O6
Net Charge0
Average Mass439.468
Monoisotopic Mass439.17434
SMILESCN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21
InChIInChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18-,20+/m0/s1
InChIKeyHJRBVKTVNLVVPO-XKGZKEIXSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid (CHEBI:100857) is a ureas (CHEBI:47857)
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