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3-(3-hydroxy-4-oxo-6-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-4H-pyran-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL549463
SMILES COc1c(OC)cc(cc1OC)C(c1oc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(=O)N

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H33N3O8 MW 551.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O8/c1-37-23-8-17(9-24(38-2)29(23)39-3)20(11-25(30)34)28-27(36)22(33)10-19(40-28)15-31-12-16-7-18(14-31)21-5-4-6-26(35)32(21)13-16/h4-6,8-10,16,18,20,36H,7,11-15H2,1-3H3,(H2,30,34)/t16-,18+,20?/m1/s1
InChIKey
HNAIFZSOXDCZOZ-MARPTJLWSA-N
Synonyms

129895858
3(3hydroxy4oxo6(((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)pyran2yl)3(345trimethoxyphenyl)propanamide
3(3hydroxy4oxo6(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)4Hpyran2yl)3(345trimethoxyphenyl)propanamide
3(3hydroxy4oxo6(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)4Hpyran2yl)3(345trimethoxyphenyl)propanamide
COc1c(OC)cc(cc1OC)C(c1oc(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)cc(=O)c1O)CC(=O)N
InChI=1SC29H33N3O8c13723817(924(382)29(23)393)20(1125(30)34)2827(36)22(33)1019(4028)15311216718(1431)2154626(35)32(21)1316h4681016182036H71115H213H3(H23034)t1618+20?m1s1
ZINC000524731688
ZINC000524731689

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Available files

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