Chem
J-GLOBAL ID：200907098042197858   Nikkaji number：J410.842F

Tilmicosin

チルミコシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C46H80N2O13
Molecular formula furigana： C46-H80-N2-O13
Molecular weight： 869.147
InChI： InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/t26?,27?,28-,29+,30-,31-,32+,33-,35-,36?,38+,39-,40-,41-,42?,43-,44-,45+,46-/m1/s1
InChI key： JTSDBFGMPLKDCD-VFJMQXQISA-N
SMILES： CCC1OC(=O)C[C@@H](O)[C@H](C)C(O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CCN2CC(C)CC(C)C2)C[C@@H](C)C(=O)C=CC(=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC)C
Systematic name  (3)：
  • 4′-O-デ(2,6-ジデオキシ-3-C-メチル-α-L-ribo-ヘキソピラノシル)-20-デオキソ-20-(3,5-ジメチル-1-ピペリジニル)チロシン[抗生物質]
  • (4R,5S,6S,7R,9R,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(ジメチルアミノ)-3,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-7-[2-(3,5-ジメチルピペリジン-1-イル)エチル]-16-エチル-4-ヒドロキシ-15-({[(2R,3R,4R,5R,6R)-5-ヒドロキシ-3,4-ジメトキシ-6-メチルオキサン-2-イル]オキシ}メチル)-5,9,13-トリメチル-1-オキサシクロヘキサデカ-11,13-ジエン-2,10-ジオン
  • (4R,5S,6S,7R,9R,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-7-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-16-ethyl-4-hydroxy-15-({[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
Other name (7)：
  • チルミコシン
  • 抗生物質EL-870
  • Antibiotic EL-870
  • LY-177370
  • EL-870
Show all
CAS registry number： 108050-54-0
KEGG DRUG： D02492
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