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Substance Name: Ristomycin A aglycone, 41-((4-((4-butylphenyl)-1-piperazinyl)methyl)-22, 31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-(((3-(dimethylamino)propyl)amino)carbonyl)-
RN: 562105-28-6
InChIKey: CSKQCHMJXABFNC-UJYLQPTNSA-N

Molecular Formula

  • C79-H81-Cl2-N11-O17

Molecular Weight

  • 1527.4749
 
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Names and Synonyms

Synonym

  • Teicoplanin aglycon, 38-N-(dimethylamino propyl)carbamyl-, 41-(1-(4-butylbenzyl)-4-piperazinyl)methyl-

Systematic Name

  • Ristomycin A aglycone, 41-((4-((4-butylphenyl)-1-piperazinyl)methyl)-22, 31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-(((3-(dimethylamino)propyl)amino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 562105-28-6

System Generated Number

  • 0562105286

Structure Descriptors

InChI

1S/C79H81Cl2N11O17/c1-4-5-7-39-8-10-40(11-9-39)37-91-22-24-92(25-23-91)38-51-57(96)36-50-63(71(51)98)49-30-43(14-16-55(49)94)65-76(103)89-69(79(106)88-68(50)75(102)83-20-6-21-90(2)3)70(97)44-15-19-59(53(81)31-44)109-62-34-46-33-61(72(62)99)108-58-18-12-41(26-52(58)80)27-54-73(100)85-66(77(104)87-67(46)78(105)86-65)45-28-47(93)35-48(29-45)107-60-32-42(13-17-56(60)95)64(82)74(101)84-54/h8-19,26,28-36,54,64-70,93-99H,4-7,20-25,27,37-38,82H2,1-3H3,(H,83,102)(H,84,101)(H,85,100)(H,86,105)(H,87,104)(H,88,106)(H,89,103)/t54-,64-,65-,66+,67-,68+,69+,70-/m1/s1

InChIKey

CSKQCHMJXABFNC-UJYLQPTNSA-N

Smiles

CCCCc1ccc(cc1)CN2CCN(CC2)Cc3c(cc4c(c3O)-c5cc(ccc5O)[C@@H]6C(=O)N[C@@H]([C@@H](c7ccc(c(c7)Cl)Oc8cc9cc(c8O)Oc1ccc(cc1Cl)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]9C(=O)N6)O)C(=O)N[C@@H]4C(=O)NCCCN(C)C)O