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Substance Name: Ristomycin A aglycone, 41-((((4-butylphenyl)methyl)amino)methyl)-22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-((1,1-dimethylethoxy)carbonyl)-
RN: 562105-32-2
InChIKey: OLVKJGATBDZWNW-HBRGKXDNSA-N

Molecular Formula

  • C75-H70-Cl2-N8-O20

Molecular Weight

  • 1474.32
 
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Names and Synonyms

  • Ristomycin A aglycone, 41-((((4-butylphenyl)methyl)amino)methyl)-22, 31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-((1,1-dimethylethoxy)carbonyl)-

Registry Numbers

CAS Registry Number

  • 562105-32-2

System Generated Number

  • 0562105322

Structure Descriptors

InChI

1S/C75H70Cl2N8O20/c1-5-6-7-33-8-10-34(11-9-33)31-78-32-45-51(89)30-44-57(65(45)91)43-24-36(13-16-49(43)87)58-69(95)84-63(72(98)83-62(44)73(99)100)64(90)38-15-19-53(47(77)25-38)104-56-28-40-27-55(66(56)92)103-52-18-12-35(20-46(52)76)21-48-67(93)80-60(70(96)82-61(40)71(97)81-58)39-22-41(86)29-42(23-39)102-54-26-37(14-17-50(54)88)59(68(94)79-48)85-74(101)105-75(2,3)4/h8-20,22-30,48,58-64,78,86-92H,5-7,21,31-32H2,1-4H3,(H,79,94)(H,80,93)(H,81,97)(H,82,96)(H,83,98)(H,84,95)(H,85,101)(H,99,100)/t48-,58-,59-,60+,61-,62+,63+,64-/m1/s1

InChIKey

OLVKJGATBDZWNW-HBRGKXDNSA-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)O)O