AUNP-12 acetate

Iupac Name

(4S,7S,10S,20S,23S,26S)-26-(((S)-2-(((2S,3S)-2-(((S)-2-(((S)-2-amino-1,3-dihydroxypropylidene)amino)-1,4-dihydroxy-4-iminobutylidene)amino)-1,3-dihydroxybutylidene)amino)-1,3-dihydroxypropylidene)amino)-10,20-dibenzyl-17-((3S,6S,9S,12S,15S,18S,21R)-3-benzyl-23-((S)-1-((2S,5R,8S,11S,14S,17S)-2,14-bis(4-aminobutyl)-11-((R)-sec-butyl)-19-carboxy-17-hydrazineyl-4,7,10,13,16-pentahydroxy-8-(3-hydroxy-3-iminopropyl)-5-methyl-3,6,9,12,15-pentaazanonadeca-3,6,9,12,15-pentaenoyl)pyrrolidin-2-yl)-6-(3-guanidinopropyl)-1,4,7,10,13,16,23-heptahydroxy-15-(3-hydroxy-3-iminopropyl)-12-((S)-1-hydroxyethyl)-18-isobutyl-9-isopropyl-21-methyl-19,20-dioxo-2,5,8,11,14,17,22-heptaazatricosa-1,4,7,10,13,16,22-heptaen-1-yl)-4-((3S,6S,9S,12S)-12-formyl-1,4,7,10,13-pentahydroxy-9-(2-hydroxy-2-iminoethyl)-6-((S)-1-hydroxyethyl)-3-(hydroxymethyl)-2,5,8,11-tetraazatrideca-1,4,7,10-tetraen-1-yl)-6,9,19,22,25-pentahydroxy-7,23-bis(hydroxymethyl)-5,8,11,12,18,21,24-heptaazanonacosa-5,8,18,21,24-pentaenedioic acid--acetic acid (1/1)

Inchi Code

1S/C142H226N40O48.C2H4O2/c1-12-71(6)110(176-124(213)83(36-22-25-51-143)158-125(214)89(180-152)45-50-108(201)202)137(226)163-85(41-46-102(146)193)118(207)156-73(8)116(205)165-90(38-23-26-52-144)141(230)182-55-29-40-101(182)135(224)155-72(7)114(203)115(204)91(56-69(2)3)166-120(209)86(42-47-103(147)194)164-138(227)113(76(11)192)179-136(225)109(70(4)5)175-123(212)84(39-28-53-153-142(150)151)160-127(216)92(57-77-30-16-13-17-31-77)168-119(208)82(159-128(217)93(58-78-32-18-14-19-33-78)169-133(222)98(66-187)171-121(210)87(43-48-106(197)198)162-132(221)99(67-188)174-140(229)112(75(10)191)177-129(218)95(61-105(149)196)167-117(206)81(145)64-185)37-24-27-54-154-181-96(59-79-34-20-15-21-35-79)130(219)173-97(65-186)131(220)161-88(44-49-107(199)200)122(211)172-100(68-189)134(223)178-111(74(9)190)139(228)170-94(60-104(148)195)126(215)157-80(62-183)63-184;1-2(3)4/h13-21,30-35,62,69-76,80-101,109-113,154,180-181,184-192H,12,22-29,36-61,63-68,143-145,152H2,1-11H3,(H2,146,193)(H2,147,194)(H2,148,195)(H2,149,196)(H,155,224)(H,156,207)(H,157,215)(H,158,214)(H,159,217)(H,160,216)(H,161,220)(H,162,221)(H,163,226)(H,164,227)(H,165,205)(H,166,209)(H,167,206)(H,168,208)(H,169,222)(H,170,228)(H,171,210)(H,172,211)(H,173,219)(H,174,229)(H,175,212)(H,176,213)(H,177,218)(H,178,223)(H,179,225)(H,197,198)(H,199,200)(H,201,202)(H4,150,151,153);1H3,(H,3,4)/t71-,72-,73-,74+,75+,76+,80-,81+,82?,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,109+,110+,111+,112+,113+;/m1./s1

InChI key

NEZJLFIKOLIQPL-OQYQVRESSA-N