CHEBI:100089 - N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide

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ChEBI Name N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide ChEBI ID CHEBI:100089 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 C27H31N3O7 Net Charge 0 Average Mass 509.552 Monoisotopic Mass 509.21620 InChI InChI=1S/C27H31N3O7/c1-3-10-28-25(31)13-18-6-7-20-24(37-18)14-34-21-9-5-17(12-19(21)27(33)30(20)2)29-26(32)16-4-8-22-23(11-16)36-15-35-22/h4-5,8-9,11-12,18,20,24H,3,6-7,10,13-15H2,1-2H3,(H,28,31)(H,29,32)/t18-,20-,24-/m1/s1 InChIKey OHHWUSSTVAUIQP-DRMXPCRNSA-N SMILES CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C ChEBI Ontology Outgoing N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:100089) is a benzodioxoles (CHEBI:38298) Manual Xref Database LSM-11468 LINCS View more database links