IUPAC Name | (2S,3S)-2-[[(10S,13S,19R)-10-(4-aminobutyl)-16-benzyl-19-[[(2S)-4-carboxy-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-3-(1H-imidazol-4-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylpentanoic acid;2,2,2-trifluoroacetic acid |
InChI | InChI=1S/C76H100N18O19S2.C2HF3O2/c1-5-40(2)63(76(112)113)93-73(109)58-38-115-114-37-57(91-68(104)52(25-27-62(98)99)86-74(110)59-19-13-29-94(59)75(111)42(4)83-64(100)41(3)82-61(97)36-80-65(101)56(33-46-35-78-39-81-46)90-67(103)51-24-26-60(96)84-51)72(108)88-53(30-43-14-7-6-8-15-43)69(105)89-55(32-45-34-79-49-17-10-9-16-48(45)49)71(107)85-50(18-11-12-28-77)66(102)87-54(70(106)92-58)31-44-20-22-47(95)23-21-44;3-2(4,5)1(6)7/h6-10,14-17,20-23,34-35,39-42,50-59,63,79,95H,5,11-13,18-19,24-33,36-38,77H2,1-4H3,(H,78,81)(H,80,101)(H,82,97)(H,83,100)(H,84,96)(H,85,107)(H,86,110)(H,87,102)(H,88,108)(H,89,105)(H,90,103)(H,91,104)(H,92,106)(H,93,109)(H,98,99)(H,112,113);(H,6,7)/t40-,41-,42-,50-,51-,52-,53?,54?,55-,56-,57-,58?,59-,63-;/m0./s1 |