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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)-N-[(1S)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)butyl]propanamide

Catalog ID
STL561632
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)N[C@H](c1nc2c(n1C)cccc2)CC(C)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 C41H49N3O7 MW 695.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H49N3O7/c1-25(2)22-33(40-43-32-16-9-10-17-34(32)44(40)4)42-36(47)24-31(27-18-20-30(50-5)21-19-27)38-35(46)23-28-13-7-6-8-14-29(45)15-11-12-26(3)51-41(49)37(28)39(38)48/h7,9-10,13,16-21,23,25-26,31,33,46,48H,6,8,11-12,14-15,22,24H2,1-5H3,(H,42,
InChIKey
LKZPUYZTGVLNFY-IAFNICPSSA-N
Synonyms

145704989
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)N((1S)3methyl1(1methyl1Hbenzimidazol2yl)butyl)propanamide
3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)N((1S)3methyl1(1methylbenzimidazol2yl)butyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)N((S)3methyl1(1methyl1Hbenzo(d)imidazol2yl)butyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@H)(c1nc2c(n1C)cccc2)CC(C)C
InChI=1SC41H49N3O7c125(2)2233(404332169101734(32)44(40)4)4236(47)2431(27182030(505)211927)3835(46)2328137681429(45)15111226(3)5141(49)37(28)39(38)48h791013162123252631334648H68111214152224H215H3(H4247)b137+t2631?33m0s1
MFCD32650697
ZINC001848442845
ZINC001848442846

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Available files

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