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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-{3-oxo-3-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propyl}-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552269
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)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

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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 C44H53N3O11 MW 799.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H53N3O11/c1-26-10-8-13-31(48)12-7-5-6-11-28-19-34(49)41(42(53)40(28)44(54)58-26)32(29-20-35(55-2)43(57-4)36(21-29)56-3)22-37(50)45-17-16-38(51)46-23-27-18-30(25-46)33-14-9-15-39(52)47(33)24-27/h6,9,11,14-15,19-21,26-27,30,32,49,53H,5,7-8,10,12
InChIKey
METAGXOPVBGTIX-ZMKCREFFSA-N
Synonyms

135640534
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(3oxo3((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(3oxo3((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)propyl)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)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC44H53N3O11c1261081331(48)1275611281934(49)41(42(53)40(28)44(54)5826)32(292035(552)43(574)36(2129)563)2237(50)45171638(51)4623271830(2546)331491539(52)47(33)2427h691114151921262730324953H57810121316182225H214H3(H4550)b116+t2627+3032?m0s1
ZINC001547139227
ZINC001547139230

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Available files

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