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Substance Name: Esperamicin D
RN: 107473-04-1
InChIKey: KREMLOHCULNNLF-WRGVHVQVSA-N

Note

  • Isolated from Actinomadura verrucosospora.

Molecular Formula

  • C33-H45-N3-O12-S3

Molecular Weight

  • 771.925
 
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Names and Synonyms

Name of Substance

  • Esperamicin D

Systematic Name

  • Carbamic acid, (8-((4,6-dideoxy-2-O-(2,4-dideoxy-3-O-methyl-4-((1-methylethyl)amino)-alpha-L-threo-pentopyranosyl)-4-(hydroxyamino)-beta-D-glucopyranosyl)oxy)-1,12-dihydroxy-13-(2-(methyltrithio)ethylidene)-11-oxobicyclo(7.3.1)trideca-4,9-diene-2,6-diyn-10-yl)-, methyl ester, (1S-(1R*,4Z,8SZ,12S*,13E))-

Registry Numbers

CAS Registry Number

  • 107473-04-1

System Generated Number

  • 0107473041

Structure Descriptors

InChI

1S/C33H45N3O12S3/c1-17(2)34-20-16-45-23(15-22(20)43-4)48-29-27(37)25(36-42)18(3)46-31(29)47-21-11-9-7-8-10-13-33(41)19(12-14-50-51-49-6)24(21)26(28(38)30(33)39)35-32(40)44-5/h7-8,12,17-18,20-23,25,27,29-31,34,36-37,39,41-42H,14-16H2,1-6H3,(H,35,40)/b8-7-,19-12-

InChIKey

KREMLOHCULNNLF-WRGVHVQVSA-N

Smiles

C1(=O)C(NC(=O)OC)=C2\C([C@@](C#CC=CC#C[C@@H]2O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)C)NO)O)O[C@@H]2C[C@@H]([C@@H](CO2)NC(C)C)OC)(O)[C@@H]1O)=C\CSSSC