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Substance Name: Ristomycin A aglycone, 41-((((4-butylphenyl)methyl)amino)methyl)-22, 31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-((methylamino)carbonyl)-
RN: 562105-34-4
InChIKey: LGBQFVMEHKBSOU-LQPFSZHUSA-N

Molecular Formula

  • C71-H65-Cl2-N9-O17

Molecular Weight

  • 1387.2465
 
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Names and Synonyms

Synonyms

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

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 562105-34-4

System Generated Number

  • 0562105344

Structure Descriptors

InChI

1S/C71H65Cl2N9O17/c1-3-4-5-31-6-8-32(9-7-31)29-76-30-43-49(86)28-42-55(63(43)88)41-22-35(12-14-47(41)84)57-68(93)82-61(71(96)81-60(42)67(92)75-2)62(87)36-13-17-51(45(73)23-36)99-54-26-38-25-53(64(54)89)98-50-16-10-33(18-44(50)72)19-46-65(90)78-58(69(94)80-59(38)70(95)79-57)37-20-39(83)27-40(21-37)97-52-24-34(11-15-48(52)85)56(74)66(91)77-46/h6-18,20-28,46,56-62,76,83-89H,3-5,19,29-30,74H2,1-2H3,(H,75,92)(H,77,91)(H,78,90)(H,79,95)(H,80,94)(H,81,96)(H,82,93)/t46-,56-,57-,58+,59-,60+,61+,62-/m1/s1

InChIKey

LGBQFVMEHKBSOU-LQPFSZHUSA-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)N)O)C(=O)N[C@H]8C(=O)N5)O)C(=O)N[C@@H]3C(=O)NC)O