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Substance Name: Ristomycin A aglycone, 22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-((methylamino)carbonyl)-41-((octadecylamino)methyl)-
RN: 562105-43-5
InChIKey: MLVMRJACQNGIAW-AWFUMUQRSA-N

Molecular Formula

  • C78-H87-Cl2-N9-O17

Molecular Weight

  • 1493.4973
 
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Names and Synonyms

  • Ristomycin A aglycone, 22, 31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-((methylamino)carbonyl)-41-((octadecylamino)methyl)-
  • Ristomycin A aglycone, 22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-((methylamino)carbonyl)-41-((octadecylamino)methyl)-

Registry Numbers

CAS Registry Number

  • 562105-43-5

System Generated Number

  • 0562105435

Structure Descriptors

InChI

1S/C78H87Cl2N9O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-83-39-50-56(93)38-49-62(70(50)95)48-32-42(21-23-54(48)91)64-75(100)89-68(78(103)88-67(49)74(99)82-2)69(94)43-22-26-58(52(80)33-43)106-61-36-45-35-60(71(61)96)105-57-25-19-40(28-51(57)79)29-53-72(97)85-65(76(101)87-66(45)77(102)86-64)44-30-46(90)37-47(31-44)104-59-34-41(20-24-55(59)92)63(81)73(98)84-53/h19-26,28,30-38,53,63-69,83,90-96H,3-18,27,29,39,81H2,1-2H3,(H,82,99)(H,84,98)(H,85,97)(H,86,102)(H,87,101)(H,88,103)(H,89,100)/t53-,63-,64-,65+,66-,67+,68+,69-/m1/s1

InChIKey

MLVMRJACQNGIAW-AWFUMUQRSA-N

Smiles

CCCCCCCCCCCCCCCCCCNCc1c(cc2c(c1O)-c3cc(ccc3O)[C@@H]4C(=O)N[C@@H]([C@@H](c5ccc(c(c5)Cl)Oc6cc7cc(c6O)Oc8ccc(cc8Cl)C[C@@H]9C(=O)N[C@@H](c1cc(cc(c1)Oc1cc(ccc1O)[C@H](C(=O)N9)N)O)C(=O)N[C@H]7C(=O)N4)O)C(=O)N[C@@H]2C(=O)NC)O