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Substance Name: Paulomycin A2
RN: 101411-68-1
InChIKey: APOXLHGBQWCHJE-NVMNQCDNSA-N

Note

  • From Streptomyces paulus strain 273.

Molecular Formula

  • C34-H46-N2-O17-S

Molecular Weight

  • 786.8
 
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Names and Synonyms

Name of Substance

  • Paulomycin A2

Systematic Name

  • 1-Cyclohexene-1-carboxylic acid, 5-(6-O-acetyl-3-O-(2,6-dideoxy-3-O-methyl-4-C-((S)-1-(3-methyl-1-oxobutoxy)ethyl)-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

  • 101411-68-1

System Generated Number

  • 0101411681

Structure Descriptors

InChI

1S/C34H46N2O17S/c1-8-14(3)31(43)50-16(5)34(46)15(4)49-22(10-21(34)47-7)52-27-25(39)29(33(45)11-19(38)24(35)23(28(33)40)30(41)42)51-20(12-48-17(6)37)26(27)53-32(44)18(9-2)36-13-54/h9,14-16,20-22,25-27,29,39,45-46H,8,10-12,35H2,1-7H3,(H,41,42)/b18-9-

InChIKey

APOXLHGBQWCHJE-NVMNQCDNSA-N

Smiles

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