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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-(4-methoxyphenyl)propanoyl}-beta-alaninamide

Catalog ID
STL552137
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(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 C39H45N3O9 MW 699.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H45N3O9/c1-24-8-7-11-30(44)10-6-4-5-9-27-22-33(45)37(38(48)36(27)39(49)51-24)32(26-12-18-31(50-3)19-13-26)23-35(47)40-21-20-34(46)42-29-16-14-28(15-17-29)41-25(2)43/h5,9,12-19,22,24,32,45,48H,4,6-8,10-11,20-21,23H2,1-3H3,(H,40,47)(H,41,43)(H,4
InChIKey
YCHNJOWBUIQRKF-FGWCLULKSA-N
Synonyms

~(N)(3(4acetamidoanilino)3oxopropyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanamide
135640422
COc1ccc(cc1)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=1SC39H45N3O9c124871130(44)106459272233(45)37(38(48)36(27)39(49)5124)32(26121831(503)191326)2335(47)40212034(46)4229161428(151729)4125(2)43h5912192224324548H4681011202123H213H3(H4047)(H4143)(H4246)b95+t2432?m0s1
N(3((4acetamidophenyl)amino)3oxopropyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)propanamide
N(4(acetylamino)phenyl)N~3~(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanoyl)betaalaninamide
ZINC001772493066
ZINC001772493067

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Available files

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