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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}-N-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-beta-alaninamide

Catalog ID
STL552204
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)NCCc1onc(n1)C(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 C40H52N4O11 MW 764.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H52N4O11/c1-23(2)39-43-34(55-44-39)16-18-41-32(47)15-17-42-33(48)22-28(26-20-30(51-4)38(53-6)31(21-26)52-5)36-29(46)19-25-12-8-7-9-13-27(45)14-10-11-24(3)54-40(50)35(25)37(36)49/h8,12,19-21,23-24,28,46,49H,7,9-11,13-18,22H2,1-6H3,(H,41,47)(H,4
InChIKey
TYYMXYSCKFOGRV-UMXRFRRZSA-N
Synonyms

135640479
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(3oxo3(2(3propan2yl124oxadiazol5yl)ethylamino)propyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(3((2(3isopropyl124oxadiazol5yl)ethyl)amino)3oxopropyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCC(=O)NCCc1onc(n1)C(C)C
InChI=1SC40H52N4O11c123(2)394334(554439)16184132(47)15174233(48)2228(262030(514)38(536)31(2126)525)3629(46)1925128791327(45)14101124(3)5440(50)35(25)37(36)49h81219212324284649H7911131822H216H3(H4147)(H4248)b128+t2428?m0s1
N~3~(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanoyl)N(2(3(propan2yl)124oxadiazol5yl)ethyl)betaalaninamide
ZINC001547139571
ZINC001547139572

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Available files

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