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Substance Name: Ristomycin A aglycone, 22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-(((tricyclo(3.3.1.13,7)dec-2-ylamino)carbonyl)-41-((tricyclo(3.3.1.13,7)dec-2-ylamino)methyl)-
RN: 562105-44-6
InChIKey: RLNDZHMOUPZKJG-KGBLXSCGSA-N

Molecular Formula

  • C79-H77-Cl2-N9-O17

Molecular Weight

  • 1495.4293
 
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Names and Synonyms

Synonym

  • Teicoplanin aglycon, 38-(2-adamantyl)amino carbonyl-, 41-(2-admantyl)methylamino-

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 562105-44-6

System Generated Number

  • 0562105446

Structure Descriptors

InChI

1S/C79H77Cl2N9O17/c80-50-19-31-1-7-56(50)106-59-26-44-27-60(72(59)97)107-57-8-4-38(24-51(57)81)70(95)69-79(104)89-68(78(103)85-64-41-15-34-10-35(17-41)18-42(64)16-34)48-29-55(94)49(30-83-63-39-11-32-9-33(13-39)14-40(63)12-32)71(96)61(48)47-23-37(3-5-53(47)92)65(75(100)90-69)87-77(102)67(44)88-76(101)66-43-21-45(91)28-46(22-43)105-58-25-36(2-6-54(58)93)62(82)74(99)84-52(20-31)73(98)86-66/h1-8,19,21-29,32-35,39-42,52,62-70,83,91-97H,9-18,20,30,82H2,(H,84,99)(H,85,103)(H,86,98)(H,87,102)(H,88,101)(H,89,104)(H,90,100)/t32?,33?,34?,35?,39?,40?,41?,42?,52-,62-,63?,64?,65-,66+,67-,68+,69+,70-/m1/s1

InChIKey

RLNDZHMOUPZKJG-KGBLXSCGSA-N

Smiles

c1cc2c(cc1C[C@@H]3C(=O)N[C@@H](c4cc(cc(c4)Oc5cc(ccc5O)[C@H](C(=O)N3)N)O)C(=O)N[C@@H]6c7cc(c(c(c7)Oc8ccc(cc8Cl)[C@H]([C@H]9C(=O)N[C@@H](c1cc(c(c(c1-c1cc(ccc1O)[C@H](C(=O)N9)NC6=O)O)CNC1C3CC4CC(C3)CC1C4)O)C(=O)NC1C3CC4CC(C3)CC1C4)O)O)O2)Cl