Paulomycin A
Molecular Formula:
C34H46N2O17S
InChI: InChI=1/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-/t14-,15-,16-,20+,21+,22-,25+,26+,27-,29+,33+,34+/m0/s1/f/h41H
InChIKey: InChIKey=APOXLHGBQWCHJE-VJXJIOMADF
SMILES: CCC(C)C(=O)OC(C)C1(C(OC(CC1OC)OC2C(C(OC(C2OC(=O)C(=CC)N=C=S)COC(=O)C)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)O)C)O
Names:
Paulomycin A
(5S)-5-[(2R,3S,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4R,5R,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-[(2S)-2-methylbutanoyl]oxyethyl]oxan-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-oxan-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
81988-77-4
Registries:
PubChem CID 6436257
PubChem ID 215607
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