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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]-N-[2-oxo-2-({[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amino)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552227
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC(=O)NCc1onc(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 C38H48N4O11 MW 736.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48N4O11/c1-21(2)37-41-32(53-42-37)20-40-31(46)19-39-30(45)18-26(24-16-28(49-4)36(51-6)29(17-24)50-5)34-27(44)15-23-12-8-7-9-13-25(43)14-10-11-22(3)52-38(48)33(23)35(34)47/h8,12,15-17,21-22,26,44,47H,7,9-11,13-14,18-20H2,1-6H3,(H,39,45)(H,40,4
InChIKey
QRFLBCBNSCQUJO-DJBSZPCGSA-N
Synonyms

135640499
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2oxo2(((3(propan2yl)124oxadiazol5yl)methyl)amino)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2oxo2((3propan2yl124oxadiazol5yl)methylamino)ethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(((3isopropyl124oxadiazol5yl)methyl)amino)2oxoethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCC(=O)NCc1onc(n1)C(C)C
InChI=1SC38H48N4O11c121(2)374132(534237)204031(46)193930(45)1826(241628(494)36(516)29(1724)505)3427(44)1523128791325(43)14101122(3)5238(48)33(23)35(34)47h81215172122264447H791113141820H216H3(H3945)(H4046)b128+t2226?m0s1
ZINC001547139474
ZINC001547139475

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Available files

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