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CHEBI:100043 - 2-[(2S,4aS,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

ChEBI IDCHEBI:100043
ChEBI Name2-[(2S,4aS,12aR)-8-[[(4-chlorophenyl)-oxomethyl]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
FormulaC23H23ClN2O6
Net Charge0
Average Mass458.898
Monoisotopic Mass458.12446
SMILESCN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21
InChIInChI=1S/C23H23ClN2O6/c1-26-18-8-7-16(11-21(27)28)32-20(18)12-31-19-9-6-15(10-17(19)23(26)30)25-22(29)13-2-4-14(24)5-3-13/h2-6,9-10,16,18,20H,7-8,11-12H2,1H3,(H,25,29)(H,27,28)/t16-,18-,20-/m0/s1
InChIKeySDVZNQMNQVCLRJ-QRFRQXIXSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,4aS,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid (CHEBI:100043) is a carbonyl compound (CHEBI:36586)
2-[(2S,4aS,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid (CHEBI:100043) is a organohalogen compound (CHEBI:17792)
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