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Substance Name: Ardacin C
RN: 95935-23-2
UNII: P211231K6P
InChIKey: XTPMKDURDRUIIR-KPSQPCMASA-N

Molecular Formula

  • C83-H86-Cl4-N8-O30

Molecular Weight

  • 1817.4304
 
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Names and Synonyms

Name of Substance

  • Ardacin C

Synonyms

  • AAD-216C
  • Antibiotic AAD-216C
  • Ardacin C
  • Aridicin C
  • Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-(2-deoxy-2-((10-methyl-1-oxoundecyl)amino)-beta-D-glucopyranuronosyl)-42-o-alpha-D-mannopyranosyl-N15-methyl-
  • UNII-P211231K6P

Registry Numbers

CAS Registry Number

  • 95935-23-2

FDA UNII

  • P211231K6P

System Generated Number

  • 0095935232

Structure Descriptors

InChI

1S/C83H86Cl4N8O30/c1-30(2)10-8-6-4-5-7-9-11-53(101)89-63-67(105)69(107)73(81(117)118)125-82(63)124-72-50-23-34-24-51(72)121-71-42(85)20-35(21-43(71)86)65(103)62-79(114)93-60(80(115)116)39-25-36(97)26-49(122-83-70(108)68(106)66(104)52(29-96)123-83)54(39)38-18-31(12-15-44(38)98)57(75(110)95-62)90-76(111)58(34)91-77(112)59-40-27-37(28-46(100)55(40)87)119-48-22-32(13-16-45(48)99)56(88-3)74(109)94-61(78(113)92-59)64(102)33-14-17-47(120-50)41(84)19-33/h12-28,30,52,56-70,73,82-83,88,96-100,102-108H,4-11,29H2,1-3H3,(H,89,101)(H,90,111)(H,91,112)(H,92,113)(H,93,114)(H,94,109)(H,95,110)(H,115,116)(H,117,118)/t52-,56-,57-,58-,59+,60+,61-,62+,63-,64-,65-,66-,67-,68+,69+,70+,73+,82-,83+/m1/s1

InChIKey

XTPMKDURDRUIIR-KPSQPCMASA-N

Smiles

CC(C)CCCCCCCCC(=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