IUPAC Name
(5S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,50S,53S,56S,59S,62S,65S,68S,71S,74S,77S,80S,86S)-20-((1H-indol-3-yl)methyl)-86-amino-44-(3-amino-3-oxopropyl)-35-(4-aminobutyl)-29,77-dibenzyl-26-((S)-sec-butyl)-32,50-bis(2-carboxyethyl)-68-(carboxymethyl)-5,11-bis(3-guanidinopropyl)-56-(4-hydroxybenzyl)-74,80-bis((R)-1-hydroxyethyl)-59,62,71-tris(hydroxymethyl)-17,53-diisobutyl-14,65-diisopropyl-23,38,41-trimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85-octacosaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84-octacosaazanonaoctacontanedioic acid
InChI
InChI=1S/C142H216N38O45/c1-16-72(10)113(138(223)159-75(13)118(203)166-97(58-81-60-152-85-34-24-23-33-83(81)85)128(213)168-93(54-69(4)5)129(214)177-111(70(6)7)136(221)165-87(37-28-52-151-142(148)149)121(206)154-61-103(188)160-86(36-27-51-150-141(146)147)120(205)156-64-110(199)200)179-130(215)95(55-78-29-19-17-20-30-78)169-125(210)91(45-49-108(195)196)164-124(209)88(35-25-26-50-143)162-117(202)74(12)157-116(201)73(11)158-123(208)90(43-46-102(145)187)161-104(189)62-155-122(207)89(44-48-107(193)194)163-126(211)92(53-68(2)3)167-127(212)94(57-80-38-40-82(186)41-39-80)170-133(218)99(65-181)173-135(220)101(67-183)174-137(222)112(71(8)9)178-132(217)98(59-109(197)198)171-134(219)100(66-182)175-140(225)115(77(15)185)180-131(216)96(56-79-31-21-18-22-32-79)172-139(224)114(76(14)184)176-105(190)63-153-119(204)84(144)42-47-106(191)192/h17-24,29-34,38-41,60,68-77,84,86-101,111-115,152,181-186H,16,25-28,35-37,42-59,61-67,143-144H2,1-15H3,(H2,145,187)(H,153,204)(H,154,206)(H,155,207)(H,156,205)(H,157,201)(H,158,208)(H,159,223)(H,160,188)(H,161,189)(H,162,202)(H,163,211)(H,164,209)(H,165,221)(H,166,203)(H,167,212)(H,168,213)(H,169,210)(H,170,218)(H,171,219)(H,172,224)(H,173,220)(H,174,222)(H,175,225)(H,176,190)(H,177,214)(H,178,217)(H,179,215)(H,180,216)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H4,146,147,150)(H4,148,149,151)/t72-,73-,74-,75-,76+,77+,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-,114-,115-/m0/s1