1405-20-5

Polymyxin B Sulfate

IUPAC Name: sulfuric acid compound with (S)-N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-((R)-1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methyloctanamide and N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-((R)-1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methylheptanamide (1:1:1)

InChIKey: SBKRTALNRRAOJP-UHIWYKMLSA-N

SMILES: O=S(O)(O)=O.O=C(N[C@H](C(N[C@@](C(N[C@H](C(N[C@@]1([H])[C@H](O)C)=O)CCN)=O)([H])CCN)=O)CC(C)C)[C@H](NC([C@@H](NC([C@@](CCNC1=O)([H])NC([C@H](CCN)NC([C@H]([C@H](O)C)NC([C@H](CCN)NC(CCCCC(C)C)=O)=O)=O)=O)=O)CCN)=O)CC2=CC=CC=C2.O=C(N[C@H](C(N[C@@](C(N[C@H](C(N[C@@]3([H])[C@H](O)C)=O)CCN)=O)([H])CCN)=O)CC(C)C)[C@H](NC([C@@H](NC([C@@](CCNC3=O)([H])NC([C@H](CCN)NC([C@H]([C@H](O)C)NC([C@H](CCN)NC(CCCC[C@@H](C)CC)=O)=O)=O)=O)=O)CCN)=O)CC4=CC=CC=C4