IUPAC Name
acetic acid;(S)-5-(((4R,7S,10S,13S,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-16-benzyl-4-(((1S,2S)-1-carboxy-2-methylbutyl)carbamoyl)-7-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-5-oxo-4-((S)-1-(((S)-5-oxopyrrolidine-2-carbonyl)-L-histidylglycyl-L-alanyl-L-alanyl)pyrrolidine-2-carboxamido)pentanoic acid
InChI
InChI=1S/C76H100N18O19S2.C2H4O2/c1-5-40(2)63(76(112)113)92-71(107)58-38-115-114-37-57(90-66(102)52(25-27-62(98)99)86-72(108)59-19-13-29-93(59)74(110)42(4)94(75(111)53-24-26-60(96)84-53)73(109)41(3)83-61(97)36-81-64(100)49(78)33-46-35-79-39-82-46)70(106)88-54(30-43-14-7-6-8-15-43)67(103)89-56(32-45-34-80-50-17-10-9-16-48(45)50)69(105)85-51(18-11-12-28-77)65(101)87-55(68(104)91-58)31-44-20-22-47(95)23-21-44;1-2(3)4/h6-10,14-17,20-23,34-35,39-42,49,51-59,63,80,95H,5,11-13,18-19,24-33,36-38,77-78H2,1-4H3,(H,79,82)(H,81,100)(H,83,97)(H,84,96)(H,85,105)(H,86,108)(H,87,101)(H,88,106)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,98,99)(H,112,113);1H3,(H,3,4)/t40-,41-,42-,49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-;/m0./s1