CJC-1295 acetate(863288-34-0 free base)

Iupac Name

(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,48S,51S,54S,57S,60S,63S,66S,69S)-69-(((R)-2-(((S)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene)amino)-1-hydroxypropylidene)amino)-3-((3S,6S,9S,12S)-17-amino-3-((S)-sec-butyl)-1,4,7,10-tetrahydroxy-12-(hydroxy(imino)methyl)-9-(hydroxymethyl)-17-imino-6-isobutyl-2,5,8,11,16-pentaazaheptadeca-1,4,7,10-tetraen-1-yl)-15,42-bis(4-aminobutyl)-60-benzyl-63-((S)-sec-butyl)-18,45-bis(3-guanidinopropyl)-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68-docosahydroxy-6,30,54-tris(3-hydroxy-3-iminopropyl)-48-(4-hydroxybenzyl)-57-((R)-1-hydroxyethyl)-24,51-bis(hydroxymethyl)-9,12,27,36-tetraisobutyl-39-isopropyl-21,33,66-trimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67-docosaazahenheptaconta-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67-docosaenedioic acid--acetic acid (1/1)

Inchi Code

1S/C152H252N44O42.C2H4O2/c1-22-79(15)118(194-125(214)84(20)171-135(224)107(68-115(206)207)181-124(213)81(17)169-126(215)91(155)65-87-41-45-89(201)46-42-87)147(236)189-106(66-86-34-25-24-26-35-86)141(230)196-120(85(21)200)149(238)180-99(51-54-114(158)205)132(221)190-111(72-199)145(234)185-105(67-88-43-47-90(202)48-44-88)140(229)178-96(40-33-59-168-152(164)165)128(217)177-94(37-28-30-56-154)133(222)193-117(78(13)14)146(235)187-100(60-73(3)4)134(223)170-82(18)123(212)175-97(49-52-112(156)203)130(219)183-103(63-76(9)10)138(227)191-109(70-197)143(232)172-83(19)122(211)174-95(39-32-58-167-151(162)163)127(216)176-93(36-27-29-55-153)129(218)182-102(62-75(7)8)137(226)184-101(61-74(5)6)136(225)179-98(50-53-113(157)204)131(220)186-108(69-116(208)209)142(231)195-119(80(16)23-2)148(237)188-104(64-77(11)12)139(228)192-110(71-198)144(233)173-92(121(159)210)38-31-57-166-150(160)161;1-2(3)4/h24-26,34-35,41-48,73-85,91-111,117-120,197-202H,22-23,27-33,36-40,49-72,153-155H2,1-21H3,(H2,156,203)(H2,157,204)(H2,158,205)(H2,159,210)(H,169,215)(H,170,223)(H,171,224)(H,172,232)(H,173,233)(H,174,211)(H,175,212)(H,176,216)(H,177,217)(H,178,229)(H,179,225)(H,180,238)(H,181,213)(H,182,218)(H,183,219)(H,184,226)(H,185,234)(H,186,220)(H,187,235)(H,188,237)(H,189,236)(H,190,221)(H,191,227)(H,192,228)(H,193,222)(H,194,214)(H,195,231)(H,196,230)(H,206,207)(H,208,209)(H4,160,161,166)(H4,162,163,167)(H4,164,165,168);1H3,(H,3,4)/t79-,80-,81+,82-,83-,84-,85+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,117-,118-,119-,120-;/m0./s1

InChI key

XXEDKWNHYSHFFS-WBJDEUNBSA-N