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N-[2-(1H-benzimidazol-1-yl)ethyl]-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
STL551655
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCn1cnc2c1cccc2

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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 C39H45N3O9 MW 699.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H45N3O9/c1-24-11-10-14-27(43)13-7-5-6-12-25-19-31(44)36(37(46)35(25)39(47)51-24)28(26-20-32(48-2)38(50-4)33(21-26)49-3)22-34(45)40-17-18-42-23-41-29-15-8-9-16-30(29)42/h6,8-9,12,15-16,19-21,23-24,28,44,46H,5,7,10-11,13-14,17-18,22H2,1-4H3,(H,4
InChIKey
OWAZGYZBKWCBJJ-NXAKTBIXSA-N
Synonyms

~(N)(2(benzimidazol1yl)ethyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640017
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCn1cnc2c1cccc2
InChI=1SC39H45N3O9c12411101427(43)1375612251931(44)36(37(46)35(25)39(47)5124)28(262032(482)38(504)33(2126)493)2234(45)4017184223412915891630(29)42h68912151619212324284446H5710111314171822H214H3(H4045)b126+t2428?m0s1
N(2(1Hbenzimidazol1yl)ethyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
N(2(1Hbenzo(d)imidazol1yl)ethyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547139370
ZINC001547139371

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Available files

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