Cortistatin 14, human, rat acetate

Iupac Name

2-(((19-((1H-indol-3-yl)methyl)-16,31-bis(4-aminobutyl)-10,22,25-tribenzyl-6,9,12,15,18,21,24,27,30,33-decahydroxy-34-((hydroxy(pyrrolidin-2-yl)methylene)amino)-28-(2-hydroxy-2-iminoethyl)-13-(1-hydroxyethyl)-7-(hydroxymethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriaconta-5,8,11,14,17,20,23,26,29,32-decaen-4-yl)(hydroxy)methylene)amino)-6-aminohexanoic acid--acetic acid (1/1)

Inchi Code

1S/C78H108N18O17S2.C2H4O2/c1-45(98)65-77(111)92-58(38-48-24-9-4-10-25-48)71(105)93-61(42-97)74(108)95-63(76(110)87-55(78(112)113)30-15-18-34-81)44-115-114-43-62(94-66(100)52-31-19-35-83-52)75(109)86-53(28-13-16-32-79)67(101)91-60(40-64(82)99)73(107)89-56(36-46-20-5-2-6-21-46)69(103)88-57(37-47-22-7-3-8-23-47)70(104)90-59(39-49-41-84-51-27-12-11-26-50(49)51)72(106)85-54(68(102)96-65)29-14-17-33-80;1-2(3)4/h2-12,20-27,41,45,52-63,65,83-84,97-98H,13-19,28-40,42-44,79-81H2,1H3,(H2,82,99)(H,85,106)(H,86,109)(H,87,110)(H,88,103)(H,89,107)(H,90,104)(H,91,101)(H,92,111)(H,93,105)(H,94,100)(H,95,108)(H,96,102)(H,112,113);1H3,(H,3,4)

InChI key

BDIUSSPYXGSZHJ-UHFFFAOYSA-N