D-JNKI-1 acetate

Iupac Name

(6R,9R,12R,15R)-1,15-diamino-6-((R)-2-((((R)-1-(((R)-1-((R)-2-((3R,6R,9R,12R,15R,18R,19S)-18-((R)-2-((((R)-1-(((R)-6-amino-1-((R)-2-((((R)-1-((R)-2-((R)-2-((3R,6R,9R,12R,15R,18R,21R,24R,27R)-32-amino-21,24-bis(4-aminobutyl)-3,6,9,15,18-pentakis(3-guanidinopropyl)-1,4,7,10,13,16,19,22,25-nonahydroxy-27-(hydroxy((2-hydroxy-2-iminoethyl)imino)methyl)-12-(3-hydroxy-3-iminopropyl)-32-imino-2,5,8,11,14,17,20,23,26,31-decaazadotriaconta-1,4,7,10,13,16,19,22,25-nonaen-1-yl)pyrrolidine-1-carbonyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)imino)(hydroxy)methyl)pyrrolidin-1-yl)-1-oxohexan-2-yl)imino)-5-guanidino-1-hydroxypentan-2-yl)imino)(hydroxy)methyl)pyrrolidine-1-carbonyl)-3-benzyl-1,4,7,10,13,16,19-heptahydroxy-9-(2-hydroxy-2-iminoethyl)-15-((S)-1-hydroxyethyl)-6,12-diisobutyl-2,5,8,11,14,17-hexaazaicosa-1,4,7,10,13,16-hexaen-1-yl)pyrrolidin-1-yl)-5-hydroxy-5-imino-1-oxopentan-2-yl)imino)-1-hydroxy-3-methylbutan-2-yl)imino)(hydroxy)methyl)pyrrolidine-1-carbonyl)-8,11,14-trihydroxy-12-(3-hydroxy-3-iminopropyl)-9-(hydroxymethyl)-1-imino-2,7,10,13-tetraazaheptadeca-7,10,13-trien-17-oic acid--acetic acid (1/1)

Inchi Code

1S/C164H286N66O40.C2H4O2/c1-84(2)77-106(217-139(254)108(79-89-33-10-9-11-34-89)220-146(261)112-48-28-72-226(112)153(268)105(55-58-119(171)236)216-148(263)123(86(5)6)222-147(262)115-51-29-73-227(115)151(266)103(45-25-69-199-163(188)189)214-142(257)110(83-231)221-137(252)100(53-56-117(169)234)202-126(241)90(168)80-122(239)240)138(253)219-109(81-120(172)237)140(255)218-107(78-85(3)4)141(256)223-124(87(7)232)149(264)224-125(88(8)233)155(270)229-75-31-50-114(229)144(259)212-99(44-24-68-198-162(186)187)135(250)213-102(37-14-17-61-167)150(265)225-71-27-47-111(225)145(260)215-104(46-26-70-200-164(190)191)152(267)230-76-32-52-116(230)154(269)228-74-30-49-113(228)143(258)211-98(43-23-67-197-161(184)185)134(249)208-95(40-20-64-194-158(178)179)131(246)207-97(42-22-66-196-160(182)183)133(248)210-101(54-57-118(170)235)136(251)209-96(41-21-65-195-159(180)181)132(247)206-94(39-19-63-193-157(176)177)130(245)205-93(36-13-16-60-166)129(244)204-92(35-12-15-59-165)128(243)203-91(38-18-62-192-156(174)175)127(242)201-82-121(173)238;1-2(3)4/h9-11,33-34,84-88,90-116,123-125,231-233H,12-32,35-83,165-168H2,1-8H3,(H2,169,234)(H2,170,235)(H2,171,236)(H2,172,237)(H2,173,238)(H,201,242)(H,202,241)(H,203,243)(H,204,244)(H,205,245)(H,206,247)(H,207,246)(H,208,249)(H,209,251)(H,210,248)(H,211,258)(H,212,259)(H,213,250)(H,214,257)(H,215,260)(H,216,263)(H,217,254)(H,218,255)(H,219,253)(H,220,261)(H,221,252)(H,222,262)(H,223,256)(H,224,264)(H,239,240)(H4,174,175,192)(H4,176,177,193)(H4,178,179,194)(H4,180,181,195)(H4,182,183,196)(H4,184,185,197)(H4,186,187,198)(H4,188,189,199)(H4,190,191,200);1H3,(H,3,4)/t87-,88-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,123+,124+,125+;/m0./s1

InChI key

ZGVKGEJJEAOMCM-ONROHKDVSA-N