TC14012 acetate

Iupac Name

acetic acid--(3S,6S,9R,12R,17R,20S,23S,26S,29S,34aS)-17-(((S)-2-(((S)-2-(((S)-2-amino-5-guanidino-1-hydroxypentylidene)amino)-5-guanidino-1-hydroxypentylidene)amino)-1-hydroxy-3-(naphthalen-2-yl)propylidene)amino)-26-(4-aminobutyl)-N-((S)-5-guanidino-1-hydroxy-1-iminopentan-2-yl)-6-(3-guanidinopropyl)-1,4,7,10,18,21,24,27-octahydroxy-9,23,29-tris(3-((hydroxy(imino)methyl)amino)propyl)-3,20-bis(4-hydroxybenzyl)-30-oxo-6,9,12,13,17,20,23,26,29,30,32,33,34,34a-tetradecahydro-3H,16H-pyrrolo[2,1-p][1,2]dithia[5,8,11,14,17,20,23,26,29]nonaazacyclodotriacontine-12-carbimidic acid (1/1)

Inchi Code

1S/C90H140N34O19S2.C2H4O2/c91-34-4-3-16-58-74(131)118-63(22-11-41-111-90(104)143)83(140)124-42-12-23-69(124)82(139)121-65(45-50-27-32-55(126)33-28-50)78(135)117-60(19-8-38-108-87(100)101)73(130)115-62(21-10-40-110-89(103)142)76(133)122-67(80(137)112-57(70(93)127)17-6-36-106-85(96)97)47-144-145-48-68(81(138)120-64(44-49-25-30-54(125)31-26-49)77(134)116-61(72(129)114-58)20-9-39-109-88(102)141)123-79(136)66(46-51-24-29-52-13-1-2-14-53(52)43-51)119-75(132)59(18-7-37-107-86(98)99)113-71(128)56(92)15-5-35-105-84(94)95;1-2(3)4/h1-2,13-14,24-33,43,56-69,125-126H,3-12,15-23,34-42,44-48,91-92H2,(H2,93,127)(H,112,137)(H,113,128)(H,114,129)(H,115,130)(H,116,134)(H,117,135)(H,118,131)(H,119,132)(H,120,138)(H,121,139)(H,122,133)(H,123,136)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H3,102,109,141)(H3,103,110,142)(H3,104,111,143);1H3,(H,3,4)/t56-,57-,58-,59-,60-,61-,62+,63-,64-,65-,66-,67-,68-,69-;/m0./s1

InChI key

KSCMWXPNLNUKOO-OXLKFLRPSA-N