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Substance Name: 4'''(R)-N-Acetamideaclacinomycin A
RN: 79366-08-8
InChIKey: CBAHKCBTZPLJAP-UHFFFAOYSA-N

Molecular Formula

  • C44-H58-N2-O15

Molecular Weight

  • 854.941
 
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Names and Synonyms

Results Name

  • 4'''(R)-N-Acetamideaclacinomycin A

Synonyms

  • 4'''(R)-N-Acetamideaclacinomycin A
  • Methyl (1R-(1alpha,2beta,4beta))-4-((4-O-(4-O-((2S-(2alpha,5alpha,6beta))-5-(acetylamino)tetrahydro-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-1-naphthacenecarboxylate
  • Methyl 4-((4-O-(4-O-((2S-(2alpha,5alpha,6beta))-5-(acetylamino)tetrahydro-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-1-naphthacenecarboxylate (1R-(1alpha,2beta,4beta))-

Systematic Name

  • 1-Naphthacenecarboxylic acid, 4-((4-O-(4-O-((2S-(2alpha,5alpha,6beta))-5-(acetylamino)tetrahydro-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

  • 79366-08-8

System Generated Number

  • 0079366088

Structure Descriptors

InChI

1S/C44H58N2O15/c1-9-44(54)18-30(35-24(37(44)43(53)55-8)15-25-36(40(35)52)39(51)34-23(38(25)50)11-10-12-28(34)48)59-32-16-27(46(6)7)41(20(3)57-32)61-33-17-29(49)42(21(4)58-33)60-31-14-13-26(19(2)56-31)45-22(5)47/h10-12,15,19-21,26-27,29-33,37,41-42,48-49,52,54H,9,13-14,16-18H2,1-8H3,(H,45,47)

InChIKey

CBAHKCBTZPLJAP-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H]([C@@H](C1)NC(C)=O)C)O[C@@H]1[C@@H](O[C@@H](C[C@@H]1O)O[C@@H]1[C@@H](C)O[C@@H](C[C@@H]1N(C)C)O[C@@H]1c2c(cc3c(C(=O)c4c(cccc4C3=O)O)c2O)[C@@H](C(OC)=O)[C@@](CC)(O)C1)C