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N-[1-(3-cyanopyridin-2-yl)piperidin-4-yl]-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
STL551933
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NC1CCN(CC1)c1ncccc1C#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 C41H48N4O9 MW 740.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H48N4O9/c1-25-10-8-14-30(46)13-7-5-6-11-26-20-32(47)37(38(49)36(26)41(50)54-25)31(28-21-33(51-2)39(53-4)34(22-28)52-3)23-35(48)44-29-15-18-45(19-16-29)40-27(24-42)12-9-17-43-40/h6,9,11-12,17,20-22,25,29,31,47,49H,5,7-8,10,13-16,18-19,23H2,1-4H
InChIKey
HEVCIGWXAWQFIT-JMAOQTOSSA-N
Synonyms

~(N)(1(3cyanopyridin2yl)piperidin4yl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640254
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NC1CCN(CC1)c1ncccc1C#N
InChI=1SC41H48N4O9c1251081430(46)1375611262032(47)37(38(49)36(26)41(50)5425)31(282133(512)39(534)34(2228)523)2335(48)4429151845(191629)4027(2442)129174340h6911121720222529314749H578101316181923H214H3(H4448)b116+t2531?m0s1
N(1(3cyanopyridin2yl)piperidin4yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
N(1(3cyanopyridin2yl)piperidin4yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547138830
ZINC001547138833

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Available files

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