pep2-AVKI acetate(1315378-69-8 free base)

Iupac Name

(2S,5S,8S,11S,14S)-14-((2S,8S,11S,14S,17S)-17-amino-14-(2-amino-2-oxoethyl)-2-((S)-sec-butyl)-8-(4-hydroxybenzyl)-18-(4-hydroxyphenyl)-11-isopropyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecanamido)-5-(4-aminobutyl)-2-((S)-sec-butyl)-8-isopropyl-11-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazaheptadecanedioic acid--acetic acid (1/1)

Inchi Code

1S/C60H93N13O17.C2H4O2/c1-10-32(7)49(59(88)67-41(23-24-46(78)79)54(83)65-34(9)51(80)71-47(30(3)4)57(86)66-40(14-12-13-25-61)55(84)73-50(60(89)90)33(8)11-2)70-45(77)29-64-53(82)42(27-36-17-21-38(75)22-18-36)69-58(87)48(31(5)6)72-56(85)43(28-44(63)76)68-52(81)39(62)26-35-15-19-37(74)20-16-35;1-2(3)4/h15-22,30-34,39-43,47-50,74-75H,10-14,23-29,61-62H2,1-9H3,(H2,63,76)(H,64,82)(H,65,83)(H,66,86)(H,67,88)(H,68,81)(H,69,87)(H,70,77)(H,71,80)(H,72,85)(H,73,84)(H,78,79)(H,89,90);1H3,(H,3,4)/t32-,33-,34-,39-,40-,41-,42-,43-,47-,48-,49-,50-;/m0./s1

InChI key

KPWQFXYBCYXNCW-DOKYTNNDSA-N