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Substance Name: Paulomycin E
RN: 101411-69-2
InChIKey: ZIOGVGDMWOZVBR-NSIKDUERSA-N

Note

  • From Streptomyces paulus strain 273.

Molecular Formula

  • C29-H36-N2-O16-S

Molecular Weight

  • 700.667
 
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Names and Synonyms

Name of Substance

  • Paulomycin E

Systematic Name

  • 1-Cyclohexene-1-carboxylic acid, 5-(6-O-acetyl-3-O-(4-C-acetyl-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)-4-O-((Z)-2-isothiocyanato-1-oxo-2-butenyl)-beta-D-allopyranosyl)-2-amino-5-hydroxy-3,6-dioxo-, (S)-

Registry Numbers

CAS Registry Number

  • 101411-69-2

System Generated Number

  • 0101411692

Structure Descriptors

InChI

1S/C29H36N2O16S/c1-6-14(31-10-48)27(39)47-22-16(9-43-13(4)33)45-25(28(40)8-15(34)20(30)19(24(28)36)26(37)38)21(35)23(22)46-18-7-17(42-5)29(41,11(2)32)12(3)44-18/h6,12,16-18,21-23,25,35,40-41H,7-9,30H2,1-5H3,(H,37,38)/b14-6-

InChIKey

ZIOGVGDMWOZVBR-NSIKDUERSA-N

Smiles

O1[C@@H]([C@@]2(CC(C(=C(C2=O)C(O)=O)N)=O)O)[C@@H]([C@@H](O[C@@H]2C[C@@H]([C@@]([C@@H](O2)C)(O)C(=O)C)OC)[C@@H](OC(\C(N=C=S)=C\C)=O)[C@@H]1COC(=O)C)O