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methyl 4-[(N-{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}glycyl)amino]benzoate

Catalog ID
STL551859
SMILES COC(=O)c1ccc(cc1)NC(=O)CNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1cc(OC)c(c(c1)OC)OC

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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 C40H46N2O12 MW 746.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H46N2O12/c1-23-10-9-13-28(43)12-8-6-7-11-25-18-30(44)36(37(47)35(25)40(49)54-23)29(26-19-31(50-2)38(52-4)32(20-26)51-3)21-33(45)41-22-34(46)42-27-16-14-24(15-17-27)39(48)53-5/h7,11,14-20,23,29,44,47H,6,8-10,12-13,21-22H2,1-5H3,(H,41,45)(H,42,4
InChIKey
DMWAYHZRYXZVFZ-HMNDZPGISA-N
Synonyms

135640193
COC(=O)c1ccc(cc1)NC(=O)CNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1cc(OC)c(c(c1)OC)OC
InChI=1SC40H46N2O12c1231091328(43)1286711251830(44)36(37(47)35(25)40(49)5423)29(261931(502)38(524)32(2026)513)2133(45)412234(46)4227161424(151727)39(48)535h711142023294447H681012132122H215H3(H4145)(H4246)b117+t2329?m0s1
methyl4((2((3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanoyl)amino)acetyl)amino)benzoate
methyl4((N(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanoyl)glycyl)amino)benzoate
methyl4(2(3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamido)acetamido)benzoate
ZINC001547138267
ZINC001547138268

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Available files

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