CHEBI:100325 - 2-[(2R,4aR,12aS)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

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ChEBI Name 2-[(2R,4aR,12aS)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester ChEBI ID CHEBI:100325 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H31N3O6 Net Charge 0 Average Mass 481.542 Monoisotopic Mass 481.22129 InChI InChI=1S/C26H31N3O6/c1-15-9-16(2)11-18(10-15)28-26(32)27-17-5-8-22-20(12-17)25(31)29(3)21-7-6-19(13-24(30)33-4)35-23(21)14-34-22/h5,8-12,19,21,23H,6-7,13-14H2,1-4H3,(H2,27,28,32)/t19-,21-,23-/m1/s1 InChIKey ANPNCKARMDTJMY-KJXAQDMKSA-N SMILES CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@@H](O4)CC(=O)OC)N(C3=O)C)C ChEBI Ontology Outgoing 2-[(2R,4aR,12aS)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester (CHEBI:100325) is a ureas (CHEBI:47857) Manual Xref Database LSM-11700 LINCS View more database links