Pep 2-8 ammonium salt(1541011-97-5 free base)

Iupac Name

(3S,6S,9S,12S,15S)-15-((2S,5S,8S,11S,14S,17S)-2-((1H-indol-3-yl)methyl)-11-benzyl-8,17-bis((R)-1-hydroxyethyl)-5-(hydroxymethyl)-14-isopropyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazaicosanamido)-3-(((2S)-1-((1-amino-3-methyl-1-oxobutan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-12-(2-carboxyethyl)-9-(4-hydroxybenzyl)-6-isobutyl-5,8,11,14-tetraoxo-4,7,10,13-tetraazaoctadecanedioic acid, ammonia salt

Inchi Code

1S/C83H110N16O24.H3N/c1-40(2)31-57(74(114)94-62(36-66(109)110)77(117)92-61(79(119)97-67(41(3)4)71(84)111)35-49-38-86-54-22-16-14-20-52(49)54)90-75(115)58(33-47-23-25-50(104)26-24-47)91-73(113)56(28-30-65(107)108)88-72(112)55(27-29-64(105)106)89-76(116)60(34-48-37-85-53-21-15-13-19-51(48)53)93-80(120)63(39-100)96-82(122)70(44(8)102)99-78(118)59(32-46-17-11-10-12-18-46)95-81(121)68(42(5)6)98-83(123)69(43(7)101)87-45(9)103;/h10-26,37-38,40-44,55-63,67-70,85-86,100-102,104H,27-36,39H2,1-9H3,(H2,84,111)(H,87,103)(H,88,112)(H,89,116)(H,90,115)(H,91,113)(H,92,117)(H,93,120)(H,94,114)(H,95,121)(H,96,122)(H,97,119)(H,98,123)(H,99,118)(H,105,106)(H,107,108)(H,109,110);1H3/t43-,44-,55+,56+,57+,58+,59+,60+,61+,62+,63+,67+,68+,69+,70+;/m1./s1

InChI key

HWBNPPIQUAYIEP-VZPBCMDWSA-N