ACTH 1-14 acetate(25696-21-3 free base)

Iupac Name

(4S,7S,10S,16S,22S)-7-((1H-imidazol-4-yl)methyl)-16-((1H-indol-3-yl)methyl)-26-amino-4-((S)-2-((S)-2-((S)-2-((S)-2-amino-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-4-(methylthio)butanamido)-10-benzyl-22-((S)-2-(((S)-1-((carboxymethyl)amino)-3-methyl-1-oxobutan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-13-(3-guanidinopropyl)-5,8,11,14,17,20-hexaoxo-6,9,12,15,18,21-hexaazahexacosanoic acid--acetic acid (1/1)

Inchi Code

1S/C77H109N21O20S.C2H4O2/c1-42(2)64(75(117)86-38-63(105)106)97-74(116)60-19-12-29-98(60)76(118)54(17-9-10-27-78)88-61(102)37-85-66(108)57(33-45-35-84-50-16-8-7-15-48(45)50)94-67(109)51(18-11-28-83-77(80)81)89-70(112)56(31-43-13-5-4-6-14-43)93-72(114)58(34-46-36-82-41-87-46)95-68(110)52(24-25-62(103)104)90-69(111)53(26-30-119-3)91-73(115)59(40-100)96-71(113)55(92-65(107)49(79)39-99)32-44-20-22-47(101)23-21-44;1-2(3)4/h4-8,13-16,20-23,35-36,41-42,49,51-60,64,84,99-101H,9-12,17-19,24-34,37-40,78-79H2,1-3H3,(H,82,87)(H,85,108)(H,86,117)(H,88,102)(H,89,112)(H,90,111)(H,91,115)(H,92,107)(H,93,114)(H,94,109)(H,95,110)(H,96,113)(H,97,116)(H,103,104)(H,105,106)(H4,80,81,83);1H3,(H,3,4)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-;/m0./s1

InChI key

WSLMRKZPUBMIJM-GHJCNAFDSA-N