Tylvalosin-linearized

Type : Macrolide, Polyketide, Natural, Antibiotic

Chemical_Nomenclature : (3~{R},4~{S},5~{S},6~{R},8~{R},12~{S},14~{R},15~{R})-3-acetyloxy-14-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4-(dimethylamino)-5-[(2~{S},4~{R},5~{S},6~{S})-4,6-dimethyl-5-(3-methylbutanoyloxy)-4-oxidanyl-oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-4,8,12-trimethyl-15-oxidanyl-9-oxidanylidene-6-(2-oxidanylideneethyl)heptadecanoic acid

Canonical SMILES : CC[C@H]([C@H](C[C@@H](C)CCC(=O)[C@H](C)C[C@H](CC=O)[C@@H]([C@@H](C)[C@@H](CC(=O)O)OC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)O

InChI : InChI=1S\/C53H93NO20\/c1-16-37(57)36(26-67-52-49(66-15)48(65-14)44(62)31(7)69-52)22-28(4)17-18-38(58)29(5)23-35(19-20-55)46(30(6)39(24-40(59)60)71-34(10)56)74-51-45(63)43(54(12)13)47(32(8)70-51)73-42-25-53(11,64)50(33(9)68-42)72-41(61)21-27(2)3\/h20,27-33,35-37,39,42-52,57,62-64H,16-19,21-26H2,1-15H3,(H,59,60)\/t28-,29+,30-,31+,32+,33-,35-,36+,37+,39+,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52+,53+\/m0\/s1

InChIKey : WXLGBWASBIONQW-NJIHMORWSA-N

Other name(s) : A1DAR  ||  linearized tylvalosin

MW : 1,064.3

Formula : C53H93NO20

CAS_number :

PubChem :

UniChem : WXLGBWASBIONQW-NJIHMORWSA-N