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Substance Name: Ristomycin A aglycone, 41-((4-((4-butylphenyl)methyl)-1-piperazinyl)methyl)- 56-O-(2-amino-2-deoxy-betaD-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-methyl-
RN: 562105-20-8
InChIKey: HUFHNVYMKPXQMC-HQUACDRZSA-N

Molecular Formula

  • C81-H80-Cl2-N10-O23

Molecular Weight

  • 1632.476
 
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Names and Synonyms

  • Ristomycin A aglycone, 41-((4-((4-butylphenyl)methyl)-1-piperazinyl)methyl)- 56-O-(2-amino-2-deoxy-betaD-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-methyl-
  • Ristomycin A aglycone, 41-((4-((4-butylphenyl)methyl)-1-piperazinyl)methyl)-56-O-(2-amino-2-deoxy-betaD-glucopyranuronosyl)-5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-methyl-

Registry Numbers

CAS Registry Number

  • 562105-20-8

System Generated Number

  • 0562105208

Structure Descriptors

InChI

1S/C81H80Cl2N10O23/c1-3-4-5-35-6-8-37(9-7-35)33-92-20-22-93(23-21-92)34-47-52(96)32-45-58(68(47)99)44-25-38(12-17-50(44)94)62-75(104)91-66(78(107)90-65(45)79(108)109)67(98)40-14-19-54(48(82)26-40)114-57-29-41-28-56(71(57)115-81-60(84)69(100)70(101)72(116-81)80(110)111)112-42-15-10-36(11-16-42)24-49-73(102)89-64(77(106)88-63(41)76(105)87-62)46-30-43(31-53(97)59(46)83)113-55-27-39(13-18-51(55)95)61(85-2)74(103)86-49/h6-19,25-32,49,60-67,69-70,72,81,85,94-101H,3-5,20-24,33-34,84H2,1-2H3,(H,86,103)(H,87,105)(H,88,106)(H,89,102)(H,90,107)(H,91,104)(H,108,109)(H,110,111)/t49-,60-,61-,62-,63-,64+,65+,66+,67-,69-,70+,72+,81-/m1/s1

InChIKey

HUFHNVYMKPXQMC-HQUACDRZSA-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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)N)Oc1ccc(cc1)C[C@@H]1C(=O)N[C@@H](c2cc(cc(c2Cl)O)Oc2cc(ccc2O)[C@H](C(=O)N1)NC)C(=O)N[C@H]9C(=O)N6)O)C(=O)N[C@@H]4C(=O)O)O