Polymyxin E1 (sulfate)

Iupac Name

(S)-N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-hydroxy-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-2,5,8,11,14,17,20-heptahydroxy-3-((R)-1-hydroxyethyl)-12,15-diisobutyl-1,4,7,10,13,16,19-heptaazacyclotricosa-1,4,7,10,13,16,19-heptaen-21-yl)imino)butan-2-yl)imino)-1,3-dihydroxybutan-2-yl)imino)-1-hydroxybutan-2-yl)-6-methyloctanimidic acid--sulfuric acid (1/1)

Inchi Code

1S/C53H100N16O13.H2O4S/c1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76;1-5(2,3)4/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77);(H2,1,2,3,4)/t30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40+,42-,43-;/m0./s1

InChI key

ZJIWRHLZXQPFAD-OQPNQKQZSA-N