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

Catalog ID
STL550985
SMILES COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCCCCCC(=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 C33H39N3O8 MW 605.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39N3O8/c1-20-13-27(38)32(42)33(44-20)24(22-10-11-26(37)28(15-22)43-2)16-29(39)34-12-5-3-4-8-30(40)35-17-21-14-23(19-35)25-7-6-9-31(41)36(25)18-21/h6-7,9-11,13,15,21,23-24,37,42H,3-5,8,12,14,16-19H2,1-2H3,(H,34,39)/t21-,23+,24?/m1/s1
InChIKey
RVBAZJFNESSUCE-RZVHPXSESA-N
Synonyms

127252774
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N(6oxo6((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)hexyl)propanamide
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N(6oxo6((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)hexyl)propanamide
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)~(N)(6oxo6((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)hexyl)propanamide
COc1cc(ccc1O)C(c1oc(C)cc(=O)c1O)CC(=O)NCCCCCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC33H39N3O8c1201327(38)32(42)33(4420)24(22101126(37)28(1522)432)1629(39)3412534830(40)3517211423(1935)2576931(41)36(25)1821h6791113152123243742H35812141619H212H3(H3439)t2123+24?m1s1
ZINC000604405390
ZINC000604405391

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Available files

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