Ac9-25 acetate

Iupac Name

(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S)-35-(((2S,5S,8S,11S,14S)-8-((1H-indol-3-yl)methyl)-5-benzyl-2-((S)-sec-butyl)-1,4,7,10,13,16-hexahydroxy-14-(3-hydroxy-3-iminopropyl)-11-methyl-3,6,9,12,15-pentaazaheptadeca-3,6,9,12,15-pentaen-1-ylidene)amino)-2-(4-aminobutyl)-20,26,29-tris(2-carboxyethyl)-4,7,10,13,16,19,22,25,28,31,34-undecahydroxy-32-(2-hydroxy-2-iminoethyl)-11,23-bis(3-hydroxy-3-iminopropyl)-17-(4-hydroxybenzyl)-8-((R)-1-hydroxyethyl)-5,14-diisopropyl-3,6,9,12,15,18,21,24,27,30,33-undecaazaoctatriaconta-3,6,9,12,15,18,21,24,27,30,33-undecaenedioic acid--acetic acid (1/1)

Inchi Code

1S/C99H143N23O33.C2H4O2/c1-10-49(6)81(121-94(149)67(42-53-18-12-11-13-19-53)117-91(146)69(44-55-46-105-58-21-15-14-20-57(55)58)115-83(138)50(7)106-84(139)59(107-52(9)124)27-34-71(101)126)97(152)113-65(33-40-78(136)137)89(144)118-70(45-74(104)129)92(147)111-63(31-38-76(132)133)87(142)109-62(30-37-75(130)131)86(141)108-60(28-35-72(102)127)85(140)110-64(32-39-77(134)135)88(143)116-68(43-54-23-25-56(125)26-24-54)93(148)119-79(47(2)3)95(150)112-61(29-36-73(103)128)90(145)122-82(51(8)123)98(153)120-80(48(4)5)96(151)114-66(99(154)155)22-16-17-41-100;1-2(3)4/h11-15,18-21,23-26,46-51,59-70,79-82,105,123,125H,10,16-17,22,27-45,100H2,1-9H3,(H2,101,126)(H2,102,127)(H2,103,128)(H2,104,129)(H,106,139)(H,107,124)(H,108,141)(H,109,142)(H,110,140)(H,111,147)(H,112,150)(H,113,152)(H,114,151)(H,115,138)(H,116,143)(H,117,146)(H,118,144)(H,119,148)(H,120,153)(H,121,149)(H,122,145)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,154,155);1H3,(H,3,4)/t49-,50-,51+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,79-,80-,81-,82-;/m0./s1

InChI key

PMPGEPJAJKKKPW-PIUUZUFASA-N