CHEBI:102416 - 2-[(2R,4aS,12aS)-8-[[(4-cyanoanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-methylacetamide

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ChEBI Name 2-[(2R,4aS,12aS)-8-[[(4-cyanoanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-methylacetamide ChEBI ID CHEBI:102416 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 C25H27N5O5 Net Charge 0 Average Mass 477.513 Monoisotopic Mass 477.20122 InChI InChI=1S/C25H27N5O5/c1-27-23(31)12-18-8-9-20-22(35-18)14-34-21-10-7-17(11-19(21)24(32)30(20)2)29-25(33)28-16-5-3-15(13-26)4-6-16/h3-7,10-11,18,20,22H,8-9,12,14H2,1-2H3,(H,27,31)(H2,28,29,33)/t18-,20+,22-/m1/s1 InChIKey WEQMSGPPXPWAGN-KAGYGMCKSA-N SMILES CNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C#N)C(=O)N2C ChEBI Ontology Outgoing 2-[(2R,4aS,12aS)-8-[[(4-cyanoanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-methylacetamide (CHEBI:102416) is a ureas (CHEBI:47857) Manual Xref Database LSM-13767 LINCS View more database links