IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,49S,52R)-52-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-19-(3-amino-3-oxopropyl)-49-benzyl-28-[(2S)-butan-2-yl]-31,40-bis(3-carbamimidamidopropyl)-34-(carboxymethyl)-16-(hydroxymethyl)-22-methyl-10-(2-methylpropyl)-37-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoic acid
InChI
InChI=1S/C97H154N34O32S3/c1-7-48(4)76-93(161)114-38-71(139)115-49(5)77(145)119-55(24-25-68(99)136)83(151)128-63(42-133)81(149)113-39-73(141)117-58(31-47(2)3)79(147)112-40-74(142)118-66(91(159)125-61(34-69(100)137)87(155)129-65(44-135)89(157)124-60(33-51-19-12-9-13-20-51)86(154)122-57(94(162)163)23-16-29-109-97(105)106)45-165-166-46-67(130-90(158)64(43-134)127-78(146)52(98)41-132)92(160)123-59(32-50-17-10-8-11-18-50)80(148)111-36-70(138)110-37-72(140)116-53(21-14-27-107-95(101)102)82(150)121-56(26-30-164-6)84(152)126-62(35-75(143)144)88(156)120-54(85(153)131-76)22-15-28-108-96(103)104/h8-13,17-20,47-49,52-67,76,132-135H,7,14-16,21-46,98H2,1-6H3,(H2,99,136)(H2,100,137)(H,110,138)(H,111,148)(H,112,147)(H,113,149)(H,114,161)(H,115,139)(H,116,140)(H,117,141)(H,118,142)(H,119,145)(H,120,156)(H,121,150)(H,122,154)(H,123,160)(H,124,157)(H,125,159)(H,126,152)(H,127,146)(H,128,151)(H,129,155)(H,130,158)(H,131,153)(H,143,144)(H,162,163)(H4,101,102,107)(H4,103,104,108)(H4,105,106,109)/t48-,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,76-/m0/s1