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

Catalog ID
STL549336
SMILES COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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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 C29H31N3O8 MW 549.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O8/c1-16-8-23(34)28(38)29(40-16)20(18-6-7-22(33)24(10-18)39-2)11-25(35)30-12-27(37)31-13-17-9-19(15-31)21-4-3-5-26(36)32(21)14-17/h3-8,10,17,19-20,33,38H,9,11-15H2,1-2H3,(H,30,35)/t17-,19+,20?/m1/s1
InChIKey
DRDGSQJTPIBKFL-MVGXFMOLSA-N
Synonyms

132286072
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N(2oxo2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)ethyl)propanamide
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N(2oxo2((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)ethyl)propanamide
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)~(N)(2oxo2((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)ethyl)propanamide
COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCC(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC29H31N3O8c116823(34)28(38)29(4016)20(186722(33)24(1018)392)1125(35)301227(37)311317919(1531)2143526(36)32(21)1417h38101719203338H91115H212H3(H3035)t1719+20?m1s1
ZINC000888089454
ZINC000888089455

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Available files

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