(6S,9S,15S,21S,24S,27S)-15-((1H-imidazol-4-yl)methyl)-6-((1H-indol-3-yl)methyl)-27-amino-3-(((S)-1-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)-12-benzyl-9-(3-guanidinopropyl)-28-(4-hydroxyphenyl)-24-isopropyl-21-(2-(methylthio)ethyl)-5,8,11,14,17,20,23,26-octaoxo-4,7,10,13,16,19,22,25-octaazaoctacosanoic acid--acetic acid (1/1)

Iupac Name

(6S,9S,15S,21S,24S,27S)-15-((1H-imidazol-4-yl)methyl)-6-((1H-indol-3-yl)methyl)-27-amino-3-(((S)-1-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)-12-benzyl-9-(3-guanidinopropyl)-28-(4-hydroxyphenyl)-24-isopropyl-21-(2-(methylthio)ethyl)-5,8,11,14,17,20,23,26-octaoxo-4,7,10,13,16,19,22,25-octaazaoctacosanoic acid--acetic acid (1/1)

Inchi Code

1S/C72H97N21O14S.C2H4O2/c1-40(2)60(93-62(99)48(73)30-43-22-24-46(94)25-23-43)70(107)88-52(26-29-108-3)63(100)83-38-58(95)85-56(34-45-37-79-39-84-45)68(105)90-54(32-42-16-8-5-9-17-42)66(103)86-51(21-13-28-81-72(77)78)65(102)91-55(33-44-36-82-49-19-11-10-18-47(44)49)67(104)92-57(35-59(96)97)69(106)87-50(20-12-27-80-71(75)76)64(101)89-53(61(74)98)31-41-14-6-4-7-15-41;1-2(3)4/h4-11,14-19,22-25,36-37,39-40,48,50-57,60,82,94H,12-13,20-21,26-35,38,73H2,1-3H3,(H2,74,98)(H,79,84)(H,83,100)(H,85,95)(H,86,103)(H,87,106)(H,88,107)(H,89,101)(H,90,105)(H,91,102)(H,92,104)(H,93,99)(H,96,97)(H4,75,76,80)(H4,77,78,81);1H3,(H,3,4)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,60-;/m0./s1

InChI key

RNQJGLFYEHVRNX-WHZKVGFLSA-N