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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-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552475
SMILES COc1cc(cc(c1OC)OC)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 C41H48N2O10 MW 728.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H48N2O10/c1-25-11-10-16-30(44)15-7-5-6-13-27-19-32(45)38(39(48)37(27)41(49)53-25)31(29-20-33(50-2)40(52-4)34(21-29)51-3)22-35(46)42-23-36(47)43-18-17-26-12-8-9-14-28(26)24-43/h6,8-9,12-14,19-21,25,31,45,48H,5,7,10-11,15-18,22-24H2,1-4H3,(H,42,
InChIKey
QVHAFTLIYRGXDK-SZLZJRFLSA-N
Synonyms

~(N)(2(34dihydro1~(H)isoquinolin2yl)2oxoethyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640706
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCC(=O)N1CCc2c(C1)cccc2
InChI=1SC41H48N2O10c12511101630(44)1575613271932(45)38(39(48)37(27)41(49)5325)31(292033(502)40(524)34(2129)513)2235(46)422336(47)4318172612891428(26)2443h6891214192125314548H57101115182224H214H3(H4246)b136+t2531?m0s1
N(2(34dihydroisoquinolin2(1H)yl)2oxoethyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
N(2(34dihydroisoquinolin2(1H)yl)2oxoethyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547139478
ZINC001547139479

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Available files

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