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Substance Name: Ristomycin A aglycone, 41-((((4-butylphenyl)methyl)amino0methyl)-22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-N15-((1,1-dimethylethoxy)carbonyl)-38-((methylamino)carbonyl)-
RN: 562105-33-3
InChIKey: KCQICHSTQWOVND-TZOUMCJZSA-N

Molecular Formula

  • C76-H73-Cl2-N9-O19

Molecular Weight

  • 1487.3627
 
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Names and Synonyms

Synonyms

  • Teicoplanin aglycon, 38-methylamino carbonyl-, 41-(p-butyl-benzyl)methylamino-, 15-tert-butyl carbamate
  • Teicoplanin aglycon, 38-methylamino carbonyl-, 41-(p-butyl-benzyl)methylamino-,15-tert-butyl carbamate

Systematic Names

  • Ristomycin A aglycone, 41-((((4-butylphenyl)methyl)amino)methyl)-22, 31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-N15-((1,1-dimethylethoxy)carbonyl)-38-(((methylamino)carbonyl)-
  • Ristomycin A aglycone, 41-((((4-butylphenyl)methyl)amino0methyl)-22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-N15-((1,1-dimethylethoxy)carbonyl)-38-((methylamino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 562105-33-3

System Generated Number

  • 0562105333

Structure Descriptors

InChI

1S/C76H73Cl2N9O19/c1-6-7-8-34-9-11-35(12-10-34)32-80-33-46-52(91)31-45-58(66(46)93)44-25-37(14-17-50(44)89)59-71(98)86-64(74(101)85-63(45)69(96)79-5)65(92)39-16-20-54(48(78)26-39)105-57-29-41-28-56(67(57)94)104-53-19-13-36(21-47(53)77)22-49-68(95)82-61(72(99)84-62(41)73(100)83-59)40-23-42(88)30-43(24-40)103-55-27-38(15-18-51(55)90)60(70(97)81-49)87-75(102)106-76(2,3)4/h9-21,23-31,49,59-65,80,88-94H,6-8,22,32-33H2,1-5H3,(H,79,96)(H,81,97)(H,82,95)(H,83,100)(H,84,99)(H,85,101)(H,86,98)(H,87,102)/t49-,59-,60-,61+,62-,63+,64+,65-/m1/s1

InChIKey

KCQICHSTQWOVND-TZOUMCJZSA-N

Smiles

CCCCc1ccc(cc1)CNCc2c(cc3c(c2O)-c4cc(ccc4O)[C@@H]5C(=O)N[C@@H]([C@@H](c6ccc(c(c6)Cl)Oc7cc8cc(c7O)Oc9ccc(cc9Cl)C[C@@H]1C(=O)N[C@@H](c2cc(cc(c2)Oc2cc(ccc2O)[C@H](C(=O)N1)NC(=O)OC(C)(C)C)O)C(=O)N[C@H]8C(=O)N5)O)C(=O)N[C@@H]3C(=O)NC)O