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Substance Name: Ristomycin A aglycone, 22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-41-9(toctadecylamino)methyl)-
RN: 562105-42-4
InChIKey: LRCLYHPNFXIUCC-JCHYSUEVSA-N

Molecular Formula

  • C77-H84-Cl2-N8-O18

Molecular Weight

  • 1480.4546
 
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Names and Synonyms

Synonym

  • Teicoplanin aglycon, 38-carboxy-, 41-methyl octadecyl amino-

Systematic Names

  • Ristomycin A aglycone, 22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-41-((toctadecylamino)methyl)-
  • Ristomycin A aglycone, 22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-41-9(toctadecylamino)methyl)-

Registry Numbers

CAS Registry Number

  • 562105-42-4

System Generated Number

  • 0562105424

Structure Descriptors

InChI

1S/C77H84Cl2N8O18/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-81-38-49-55(91)37-48-61(69(49)93)47-31-41(20-22-53(47)89)63-73(97)87-67(76(100)86-66(48)77(101)102)68(92)42-21-25-57(51(79)32-42)105-60-35-44-34-59(70(60)94)104-56-24-18-39(27-50(56)78)28-52-71(95)83-64(74(98)85-65(44)75(99)84-63)43-29-45(88)36-46(30-43)103-58-33-40(19-23-54(58)90)62(80)72(96)82-52/h18-25,27,29-37,52,62-68,81,88-94H,2-17,26,28,38,80H2,1H3,(H,82,96)(H,83,95)(H,84,99)(H,85,98)(H,86,100)(H,87,97)(H,101,102)/t52-,62-,63-,64+,65-,66+,67+,68-/m1/s1

InChIKey

LRCLYHPNFXIUCC-JCHYSUEVSA-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)O)O