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N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-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
STL552430
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)N[C@H](c1nc2c([nH]1)cccc2)[C@H](CC)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 C42H51N3O9 MW 741.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H51N3O9/c1-7-24(2)38(41-43-30-18-11-12-19-31(30)44-41)45-35(48)23-29(27-21-33(51-4)40(53-6)34(22-27)52-5)37-32(47)20-26-15-9-8-10-16-28(46)17-13-14-25(3)54-42(50)36(26)39(37)49/h9,11-12,15,18-22,24-25,29,38,47,49H,7-8,10,13-14,16-17,23H2,1-6H3
InChIKey
FZOYUYPDKGIDBK-HFOXRPAGSA-N
Synonyms

~(N)((1~(S)2~(S))1(1~(H)benzimidazol2yl)2methylbutyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640669
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@H)(c1nc2c((nH)1)cccc2)(C@H)(CC)C
InChI=1SC42H51N3O9c1724(2)38(4143301811121931(30)4441)4535(48)2329(272133(514)40(536)34(2227)525)3732(47)20261598101628(46)17131425(3)5442(50)36(26)39(37)49h91112151822242529384749H78101314161723H216H3(H4344)(H4548)b159+t242529?38m0s1
N((1S)1(1Hbenzimidazol2yl)2methylbutyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
N((1S2S)1(1Hbenzo(d)imidazol2yl)2methylbutyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547138743
ZINC001547138744

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Available files

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