[D-Trp7,9,10]-Substance P acetate

Iupac Name

(S)-2-((S)-1-(L-arginyl-L-prolyl-L-lysyl)pyrrolidine-2-carboxamido)-N1-((S)-5-amino-1-(((R)-1-(((S)-1-(((R)-1-(((R)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-1,5-dioxopentan-2-yl)pentanediamide, acetate salt

Inchi Code

1S/C79H105N21O13S.C2H4O2/c1-114-37-32-56(68(84)103)91-72(107)61(39-46-42-88-53-22-8-5-18-49(46)53)98-74(109)63(41-48-44-90-55-24-10-7-20-51(48)55)97-71(106)60(38-45-16-3-2-4-17-45)95-73(108)62(40-47-43-89-54-23-9-6-19-50(47)54)96-70(105)57(28-30-66(82)101)92-69(104)58(29-31-67(83)102)93-75(110)65-27-15-36-100(65)78(113)59(25-11-12-33-80)94-76(111)64-26-14-35-99(64)77(112)52(81)21-13-34-87-79(85)86;1-2(3)4/h2-10,16-20,22-24,42-44,52,56-65,88-90H,11-15,21,25-41,80-81H2,1H3,(H2,82,101)(H2,83,102)(H2,84,103)(H,91,107)(H,92,104)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,106)(H,98,109)(H4,85,86,87);1H3,(H,3,4)/t52-,56-,57-,58-,59-,60-,61+,62+,63+,64-,65-;/m0./s1

InChI key

JAGNQASRRPYNKN-PEKGFRLKSA-N