IUPAC Name
acetic acid;(2S,3R)-2-amino-N-[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxybutanamide
Synonyms
H-Thr-Dab-Dab-Dab-D-Phe-Leu-Dab-Dab-Thr.CH3CO2H (Disulfide bridge: Cys3-Cys9); Polymyxin B1, 1-de[N2-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid]-, acetate; 2-10-Polymyxin B1 acetate
InChI
InChI=1S/C43H74N14O11.C2H4O2/c1-22(2)20-31-40(65)52-26(10-15-44)35(60)51-29(13-18-47)39(64)57-34(24(4)59)43(68)49-19-14-30(53-36(61)28(12-17-46)54-42(67)33(48)23(3)58)38(63)50-27(11-16-45)37(62)56-32(41(66)55-31)21-25-8-6-5-7-9-25;1-2(3)4/h5-9,22-24,26-34,58-59H,10-21,44-48H2,1-4H3,(H,49,68)(H,50,63)(H,51,60)(H,52,65)(H,53,61)(H,54,67)(H,55,66)(H,56,62)(H,57,64);1H3,(H,3,4)/t23-,24-,26+,27+,28+,29+,30+,31+,32-,33+,34+;/m1./s1
