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Substance Name: Ristomycin A aglycone, 22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-((methylamino)carbonyl)-41-9(tricyclo(3.3.1.13,7)dec-2-ylamino)methyl)-
RN: 562105-41-3
InChIKey: KDRVYCZIKGQBME-QFHDULAJSA-N

Molecular Formula

  • C70-H65-Cl2-N9-O17

Molecular Weight

  • 1375.2355
 
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Names and Synonyms

Synonym

  • Teicoplanin aglycon, 38-methyl carbamyl-, 41-(2-admantyl)methylamino-

Systematic Names

  • Ristomycin A aglycone, 22, 31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-((methylamino)carbonyl)-41-((tricyclo(3.3.1.13,7)dec-2-ylamino)methyl)-
  • Ristomycin A aglycone, 22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-((methylamino)carbonyl)-41-9(tricyclo(3.3.1.13,7)dec-2-ylamino)methyl)-

Registry Numbers

CAS Registry Number

  • 562105-41-3

System Generated Number

  • 0562105413

Structure Descriptors

InChI

1S/C70H65Cl2N9O17/c1-74-66(91)59-40-25-47(85)41(26-75-55-33-11-28-10-29(13-33)14-34(55)12-28)62(87)53(40)39-19-31(4-6-45(39)83)56-67(92)81-60(70(95)80-59)61(86)32-5-9-49(43(72)20-32)98-52-23-36-22-51(63(52)88)97-48-8-2-27(15-42(48)71)16-44-64(89)77-57(68(93)79-58(36)69(94)78-56)35-17-37(82)24-38(18-35)96-50-21-30(3-7-46(50)84)54(73)65(90)76-44/h2-9,15,17-25,28-29,33-34,44,54-61,75,82-88H,10-14,16,26,73H2,1H3,(H,74,91)(H,76,90)(H,77,89)(H,78,94)(H,79,93)(H,80,95)(H,81,92)/t28?,29?,33?,34?,44-,54-,55?,56-,57+,58-,59+,60+,61-/m1/s1

InChIKey

KDRVYCZIKGQBME-QFHDULAJSA-N

Smiles

CNC(=O)[C@@H]1c2cc(c(c(c2-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](c2cc(cc(c2)Oc2cc(ccc2O)[C@H](C(=O)N9)N)O)C(=O)N[C@H]7C(=O)N4)O)C(=O)N1)O)CNC1C2CC3CC(C2)CC1C3)O