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N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-3-(4-methoxyphenyl)propanamide

Catalog ID
STL552289
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC(=O)N1CCc2c(C1)cccc2

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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 C39H44N2O8 MW 668.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H44N2O8/c1-25-9-8-14-30(42)13-5-3-4-11-28-21-33(43)37(38(46)36(28)39(47)49-25)32(27-15-17-31(48-2)18-16-27)22-34(44)40-23-35(45)41-20-19-26-10-6-7-12-29(26)24-41/h4,6-7,10-12,15-18,21,25,32,43,46H,3,5,8-9,13-14,19-20,22-24H2,1-2H3,(H,40,44)/b1
InChIKey
DFUYBMBHWYYIAG-TZZPXZDHSA-N
Synonyms

~(N)(2(34dihydro1~(H)isoquinolin2yl)2oxoethyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanamide
135640548
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCC(=O)N1CCc2c(C1)cccc2
InChI=1SC39H44N2O8c125981430(42)1353411282133(43)37(38(46)36(28)39(47)4925)32(27151731(482)181627)2234(44)402335(45)4120192610671229(26)2441h467101215182125324346H3589131419202224H212H3(H4044)b114+t2532?m0s1
N(2(34dihydroisoquinolin2(1H)yl)2oxoethyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
N(2(34dihydroisoquinolin2(1H)yl)2oxoethyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
ZINC001772492953
ZINC001772492956

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Available files

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