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N~3~-{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)propanoyl}-N-(2,4-dimethoxyphenyl)-beta-alaninamide

Catalog ID
STL551642
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCC(=O)Nc1ccc(cc1OC)OC

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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 C39H46N2O10 MW 702.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H46N2O10/c1-24-9-8-12-27(42)11-7-5-6-10-26-21-32(43)37(38(46)36(26)39(47)51-24)30(25-13-15-28(48-2)16-14-25)23-35(45)40-20-19-34(44)41-31-18-17-29(49-3)22-33(31)50-4/h6,10,13-18,21-22,24,30,43,46H,5,7-9,11-12,19-20,23H2,1-4H3,(H,40,45)(H,41,44
InChIKey
IJBBLPBGQWMZCQ-WSBGRJEFSA-N
Synonyms

135640005
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(3(24dimethoxyanilino)3oxopropyl)3(4methoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(3((24dimethoxyphenyl)amino)3oxopropyl)3(4methoxyphenyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCC(=O)Nc1ccc(cc1OC)OC
InChI=1SC39H46N2O10c124981227(42)1175610262132(43)37(38(46)36(26)39(47)5124)30(25131528(482)161425)2335(45)40201934(44)4131181729(493)2233(31)504h6101318212224304346H5791112192023H214H3(H4045)(H4144)b106+t2430?m0s1
N~3~(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanoyl)N(24dimethoxyphenyl)betaalaninamide
ZINC001772492870
ZINC001772492871

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Available files

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