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Substance Name: 4'''-Deoxy-4'''-aminoaclacinomycin
RN: 76439-76-4
InChIKey: JVGRZZZGUASQKZ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C42-H56-N2-O14

Molecular Weight

  • 812.904
 
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Names and Synonyms

Name of Substance

  • 4'''-Deoxy-4'''-aminoaclacinomycin

Synonym

  • 4'''-(R)-Aminoaclacinomycin A

Systematic Names

  • 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-4-((4-O-(4-O-((2S-(2-alpha,5-alpha,6-beta))-5-aminotetrahydro-6-methyl-2H-pyran-2-yl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,11-dioxo-2-ethyl-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-
  • 1-Naphthacenecarboxylic acid, 4-((4-O-(4-O-((2S-(2alpha,5alpha,6beta))-5-aminotetrahydro-6-methyl-2H-pyran-2-yl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-

Registry Numbers

CAS Registry Number

  • 76439-76-4

System Generated Number

  • 0076439764

Structure Descriptors

InChI

1S/C42H56N2O14/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-25(44(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-24(43)18(2)53-29/h9-11,14,18-20,24-25,27-31,35,39-40,45-46,49,51H,8,12-13,15-17,43H2,1-7H3

InChIKey

JVGRZZZGUASQKZ-UHFFFAOYSA-N

Smiles

C1[C@@]([C@@H](c2cc3C(=O)c4cccc(O)c4C(c3c(c2[C@@H]1O[C@@H]1C[C@@H](N(C)C)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)[C@@H](O[C@@H]2CC[C@@H](N)[C@@H](C)O2)[C@@H](O)C1)O)=O)C(=O)OC)(CC)O