IUPAC Name
(3S)-3-[[(4R,10S,13S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49S,52R)-40-(4-aminobutyl)-52-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-43-(3-amino-3-oxopropyl)-49-benzyl-28,37-bis[(2S)-butan-2-yl]-13,31-bis(3-carbamimidamidopropyl)-34-(carboxymethyl)-16-(hydroxymethyl)-22-methyl-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-19-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]-4-[[2-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
InChI
InChI=1S/C146H239N47O44S3/c1-16-75(11)114-140(233)165-59-107(201)167-77(13)117(210)191-113(74(9)10)141(234)189-102(67-198)134(227)176-86(38-29-46-160-145(154)155)124(217)179-90(49-71(3)4)119(212)162-62-110(204)171-103(138(231)182-95(56-111(205)206)121(214)164-61-109(203)170-91(50-72(5)6)129(222)173-85(37-28-45-159-144(152)153)125(218)180-92(51-73(7)8)130(223)184-97(143(236)237)53-80-33-22-19-23-34-80)68-239-240-69-104(139(232)181-93(52-79-31-20-18-21-32-79)120(213)163-60-108(202)169-88(40-41-105(150)199)126(219)172-84(36-25-27-44-148)127(220)193-115(76(12)17-2)142(235)183-96(57-112(207)208)132(225)174-87(128(221)192-114)39-30-47-161-146(156)157)190-137(230)101(66-197)188-136(229)100(65-196)187-135(228)99(64-195)186-131(224)94(54-81-58-158-70-166-81)178-116(209)78(14)168-122(215)89(42-48-238-15)177-123(216)83(35-24-26-43-147)175-133(226)98(63-194)185-118(211)82(149)55-106(151)200/h18-23,31-34,58,70-78,82-104,113-115,194-198H,16-17,24-30,35-57,59-69,147-149H2,1-15H3,(H2,150,199)(H2,151,200)(H,158,166)(H,162,212)(H,163,213)(H,164,214)(H,165,233)(H,167,201)(H,168,215)(H,169,202)(H,170,203)(H,171,204)(H,172,219)(H,173,222)(H,174,225)(H,175,226)(H,176,227)(H,177,216)(H,178,209)(H,179,217)(H,180,218)(H,181,232)(H,182,231)(H,183,235)(H,184,223)(H,185,211)(H,186,224)(H,187,228)(H,188,229)(H,189,234)(H,190,230)(H,191,210)(H,192,221)(H,193,220)(H,205,206)(H,207,208)(H,236,237)(H4,152,153,159)(H4,154,155,160)(H4,156,157,161)/t75-,76-,77-,78-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,113-,114-,115-/m0/s1