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N-[3-(1H-benzimidazol-2-yl)propyl]-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
STL552245
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCCc1nc2c([nH]1)cccc2

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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 C40H47N3O9 MW 713.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H47N3O9/c1-24-12-10-15-27(44)14-7-5-6-13-25-20-31(45)37(38(47)36(25)40(48)52-24)28(26-21-32(49-2)39(51-4)33(22-26)50-3)23-35(46)41-19-11-18-34-42-29-16-8-9-17-30(29)43-34/h6,8-9,13,16-17,20-22,24,28,45,47H,5,7,10-12,14-15,18-19,23H2,1-4H3,(H,4
InChIKey
HGIQZAGRVPRSLU-DLZNILGVSA-N
Synonyms

~(N)(3(1~(H)benzimidazol2yl)propyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640515
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCCc1nc2c((nH)1)cccc2
InChI=1SC40H47N3O9c12412101527(44)1475613252031(45)37(38(47)36(25)40(48)5224)28(262132(492)39(514)33(2226)503)2335(46)4119111834422916891730(29)4334h689131617202224284547H5710121415181923H214H3(H4146)(H4243)b136+t2428?m0s1
N(3(1Hbenzimidazol2yl)propyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
N(3(1Hbenzo(d)imidazol2yl)propyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547138312
ZINC001547138313

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Available files

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