Chem
J-GLOBAL ID：200907090818549457   Nikkaji number：J1.401.045I

Teicoplanon A aglycon

テイコプラニンAアグリコン
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： C58H45Cl2N7O18
Molecular formula furigana： C58-H45-CL2-N7-O18
Molecular weight： 1198.930
InChI： InChI=1S/C58H45Cl2N7O18/c59-32-9-21-1-7-38(32)84-41-16-26-17-42(51(41)74)85-39-8-4-24(14-33(39)60)50(73)49-57(80)66-48(58(81)82)31-19-28(69)20-37(72)43(31)30-13-23(3-5-35(30)70)45(54(77)67-49)64-56(79)47(26)65-55(78)46-25-11-27(68)18-29(12-25)83-40-15-22(2-6-36(40)71)44(61)53(76)62-34(10-21)52(75)63-46/h1-9,11-20,34,44-50,68-74H,10,61H2,(H,62,76)(H,63,75)(H,64,79)(H,65,78)(H,66,80)(H,67,77)(H,81,82)/t34-,44+,45-,46?,47-,48?,49+,50-/m1/s1
InChI key： DKVBOUDTNWVDEP-ZWAXVPQNSA-N
SMILES： N[C@H]1c2ccc(O)c(Oc3cc(O)cc(c3)C3NC(=O)[C@@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3ccc(O)c(c3)c3c(O)cc(O)cc3C(NC7=O)C(=O)O)c5O)c(Cl)c4)NC1=O)c2
Systematic name  (4)：
  • 19-デオキシ-22,55-ジクロロ-63,65-ジノルリストマイシンAアグリコン
  • 22,31-ジクロロ-7-デメチル-64-O-デメチル-19-デオキシリストマイシンAアグリコン
  • (1S,2R,19R,22S,37R,40R)-22-アミノ-63,65-ジクロロ-2,26,31,44,47,49,64-ヘプタヒドロキシ-21,35,38,54,56,59-ヘキサオキソ-7,13,28-トリオキサ-20,36,39,53,55,58-ヘキサアザウンデカシクロ[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]ヘキサヘキサコンタ-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-ヘンイコサエン-52-カルボン酸
  • (1S,2R,19R,22S,37R,40R)-22-amino-63,65-dichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaene-52-carboxylic acid
Other name (7)：
  • 19-Deoxy-22,55-dichloro-63,65-dinorristomycin A aglycone
  • Teicoplanin agricon
  • テイコプラニンアグリコン
  • Teicoplanin aglycon
  • 22,31-Dichloro-7-demethyl-64-O-demethyl-19-deoxyristomycin A aglycone
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