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CHEBI:130125 - 2-[(2R,4aR,12aR)-5-methyl-8-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

ChEBI IDCHEBI:130125
ChEBI Name2-[(2R,4aR,12aR)-5-methyl-8-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
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DownloadsMolfile
FormulaC21H23N3O7
Net Charge0
Average Mass429.429
Monoisotopic Mass429.15360
SMILESCc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)no1
InChIInChI=1S/C21H23N3O7/c1-11-7-15(23-31-11)20(27)22-12-3-6-17-14(8-12)21(28)24(2)16-5-4-13(9-19(25)26)30-18(16)10-29-17/h3,6-8,13,16,18H,4-5,9-10H2,1-2H3,(H,22,27)(H,25,26)/t13-,16-,18+/m1/s1
InChIKeyTWAPEWVDHQLIDV-QBIMZIAESA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,4aR,12aR)-5-methyl-8-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid (CHEBI:130125) is a aromatic amide (CHEBI:62733)
2-[(2R,4aR,12aR)-5-methyl-8-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid (CHEBI:130125) is a heteroarene (CHEBI:33833)
Manual XrefsDatabases
LSM-41675LINCS