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N-[4-(acetylamino)phenyl]-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-(3,4,5-trimethoxyphenyl)propanoyl}-beta-alaninamide

Catalog ID
STL552027
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCC(=O)Nc1ccc(cc1)NC(=O)C

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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 C41H49N3O11 MW 759.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H49N3O11/c1-24-10-9-13-30(46)12-8-6-7-11-26-20-32(47)38(39(50)37(26)41(51)55-24)31(27-21-33(52-3)40(54-5)34(22-27)53-4)23-36(49)42-19-18-35(48)44-29-16-14-28(15-17-29)43-25(2)45/h7,11,14-17,20-22,24,31,47,50H,6,8-10,12-13,18-19,23H2,1-5H3,(H,4
InChIKey
BNQYXXPBXRQNDQ-HYLKZZBRSA-N
Synonyms

~(N)(3(4acetamidoanilino)3oxopropyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640332
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCC(=O)Nc1ccc(cc1)NC(=O)C
InChI=1SC41H49N3O11c1241091330(46)1286711262032(47)38(39(50)37(26)41(51)5524)31(272133(523)40(545)34(2227)534)2336(49)42191835(48)4429161428(151729)4325(2)45h7111417202224314750H68101213181923H215H3(H4249)(H4345)(H4448)b117+t2431?m0s1
N(3((4acetamidophenyl)amino)3oxopropyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
N(4(acetylamino)phenyl)N~3~(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanoyl)betaalaninamide
ZINC001547138212
ZINC001547138213

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Available files

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