CAS Number
Molecular Formula
C56H98N16O13.H2O4S
Product format
Neat
Molecular Weight
1203.50 98.07
Storage
+5°C
Shipping
Room Temperature
API Family
Synonyms
Aerosporin; 1405-20-5; MFCD00131991; N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6, 9, 18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2, 5, 8, 11, 14, 17, 20-heptaoxo-1, 4, 7, 10, 13, 16 and 19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide;sulfuric acid; SR-05000002074; PMB; sufuric acid; C56H100N16O17S; NCGC00094763-01; Mastimyxin;Aerosporin; Polymyxin B sulfate CRS; SPECTRUM1500492; Polymyxin B sulfate salt powder; HMS502E14; MSK7248; CHEBI:201398; CHEBI:201575; HMS1920J04; HMS2092A07; Pharmakon1600-01500492
Smiles
CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]3CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](CCN)NC3=O)[C@@H](C)O
Iupac Name
N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6, 9, 18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2, 5, 8, 11, 14, 17, 20-heptaoxo-1, 4, 7, 10, 13, 16 and 19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide;sulfuric acid
InChI
InChI=1S/C56H98N16O13.H2O4S/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79;1-5(2,3)4/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80);(H2,1,2,3,4)
