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Substance Name: Ardacin A
RN: 95935-21-0
UNII: 572P13F83X
InChIKey: SFGRLMCXHBJMSU-PKMCQBQCSA-N

Molecular Formula

  • C81-H82-Cl4-N8-O30

Molecular Weight

  • 1789.3768
 
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Names and Synonyms

Name of Substance

  • Ardacin A

Synonyms

  • AAD-216A
  • Antibiotic AAD-216A
  • Ardacin A
  • Aridicin A
  • Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-(2-deoxy-2-((1-oxodecyl)amino)-beta-D-glucopyranuronosyl)-42-o-alpha-D-mannopyranosyl-N15-methyl-
  • UNII-572P13F83X

Registry Numbers

CAS Registry Number

  • 95935-21-0

FDA UNII

  • 572P13F83X

System Generated Number

  • 0095935210

Structure Descriptors

InChI

1S/C81H82Cl4N8O30/c1-3-4-5-6-7-8-9-10-51(99)87-61-65(103)67(105)71(79(115)116)123-80(61)122-70-48-22-32-23-49(70)119-69-40(83)19-33(20-41(69)84)63(101)60-77(112)91-58(78(113)114)37-24-34(95)25-47(120-81-68(106)66(104)64(102)50(28-94)121-81)52(37)36-17-29(11-14-42(36)96)55(73(108)93-60)88-74(109)56(32)89-75(110)57-38-26-35(27-44(98)53(38)85)117-46-21-30(12-15-43(46)97)54(86-2)72(107)92-59(76(111)90-57)62(100)31-13-16-45(118-48)39(82)18-31/h11-27,50,54-68,71,80-81,86,94-98,100-106H,3-10,28H2,1-2H3,(H,87,99)(H,88,109)(H,89,110)(H,90,111)(H,91,112)(H,92,107)(H,93,108)(H,113,114)(H,115,116)/t50-,54-,55-,56-,57+,58+,59-,60+,61-,62-,63-,64-,65-,66+,67+,68+,71+,80-,81+/m1/s1

InChIKey

SFGRLMCXHBJMSU-PKMCQBQCSA-N

Smiles

CCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cc4cc2Oc5c(cc(cc5Cl)[C@H]([C@H]6C(=O)N[C@@H](c7cc(cc(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9c1cc(cc(c1Cl)O)Oc1cc(ccc1O)[C@H](C(=O)N[C@H]([C@@H](c1ccc(c(c1)Cl)O3)O)C(=O)N9)NC)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O)Cl)C(=O)O)O)O