Chem
J-GLOBAL ID：200907035787197432   Nikkaji number：J961.893G

Theonezolide C

テオネゾリドC
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： C81H144N4O22S2
Molecular formula furigana： C81-H144-N4-O22-S2
Molecular weight： 1590.170
InChI： InChI=1S/C81H144N4O22S2/c1-52-35-38-66(93)43-61(88)27-19-26-59(86)25-18-17-23-54(3)79(107-109(100,101)102)78(58(7)105-81(99)71-50-104-76(83-71)33-22-32-62(89)42-60(87)28-21-31-65(92)47-70(103-8)39-36-52)85-80(98)56(5)41-55(4)73(97)48-68(95)45-64(91)30-20-29-63(90)44-67(94)46-69(96)49-75-53(2)37-40-74(106-75)72-51-108-77(84-72)34-16-14-12-10-9-11-13-15-24-57(6)82/h36,39,41,50-55,57-70,73-75,78-79,86-97H,9-35,37-38,40,42-49,82H2,1-8H3,(H,85,98)(H,100,101,102)/t52?,53?,54?,55?,57-,58?,59?,60?,61?,62?,63?,64?,65?,66?,67?,68?,69?,70?,73?,74?,75?,78?,79?/m1/s1
InChI key： CJXVRYXCQIMOET-KNTOAMCXSA-N
SMILES： COC1CC(O)CCCC(O)CC(O)CCCc2nc(co2)C(=O)OC(C)C(NC(=O)C(=CC(C)C(O)CC(O)CC(O)CCCC(O)CC(O)CC(O)CC2OC(CCC2C)c2csc(CCCCCCCCCC[C@@H](C)N)n2)C)C(OS(=O)(=O)O)C(C)CCCCC(O)CCCC(O)CC(O)CCC(C)C=C1
Systematic name  (3)：
  • N-[[2,5,19-トリメチル-4-(スルホオキシ)-10,14,16,24,28,30-ヘキサヒドロキシ-22-メトキシ-37-オキソ-34,36-(エポキシメテノ)-1-オキサ-35-アザシクロヘプタトリアコンタ-20,34-ジエン]-3-イル]-2,4-ジメチル-5,7,9,13,15,17-ヘキサヒドロキシ-18-[[6-[2-[(11R)-11-アミノドデシル]-4-チアゾリル]-3-メチルテトラヒドロ-2H-ピラン]-2-イル]-2-オクタデセンアミド
  • {5-[18-(6-{2-[(11R)-11-アミノドデシル]-1,3-チアゾール-4-イル}-3-メチルオキサン-2-イル)-5,7,9,13,15,17-ヘキサヒドロキシ-2,4-ジメチルオクタデカ-2-エンアミド]-12,16,18,26,30,32-ヘキサヒドロキシ-24-メトキシ-4,7,21-トリメチル-2-オキソ-3,37-ジオキサ-39-アザビシクロ[34.2.1]ノナトリアコンタ-1(38),22,36(39)-トリエン-6-イル}オキシダンスルホン酸
  • {5-[18-(6-{2-[(11R)-11-aminododecyl]-1,3-thiazol-4-yl}-3-methyloxan-2-yl)-5,7,9,13,15,17-hexahydroxy-2,4-dimethyloctadec-2-enamido]-12,16,18,26,30,32-hexahydroxy-24-methoxy-4,7,21-trimethyl-2-oxo-3,37-dioxa-39-azabicyclo[34.2.1]nonatriaconta-1(38),22,36(39)-trien-6-yl}oxidanesulfonic acid
Other name (3)：
  • N-[[2,5,19-Trimethyl-4-(sulfooxy)-10,14,16,24,28,30-hexahydroxy-22-methoxy-37-oxo-34,36-(epoxymetheno)-1-oxa-35-azacycloheptatriaconta-20,34-dien]-3-yl]-2,4-dimethyl-5,7,9,13,15,17-hexahydroxy-18-[[6-[2-[(11R)-11-aminododecyl]-4-thiazolyl]-3-methyltetrahydro-2H-pyran]-2-yl]-2-octadecenamide
  • テオネゾリドC
  • Theonezolide C
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM