Flagelin 22

Catalog No. : KL-0304642-919

Cas No. : 304642-91-9

Standard English name : (2S,5S,8S,11S,17S,20S,23S,26S)-8-(3-amino-3-oxopropyl)-5-((S)-sec-butyl)-23-(carboxymethyl)-26-((2S,5S,8S,11S,14S,17S,20S,26S,29S,32S,35S,38S)-38,41-diamino-11-(2-amino-2-oxoethyl)-2-(4-aminobutyl)-14-((S)-sec-butyl)-17,35-bis(3-guanidinopropyl)-26-((R)-1-hydroxyethyl)-8,20,29-tris(hydroxymethyl)-32-isobutyl-5-methyl-4,7,10,13,16,19,22,25,28,31,34,37,41-tridecaoxo-3,6,9,12,15,18,21,24,27,30,33,36-dodecaazahentetracontanamido)-11-isobutyl-2,17,20-trimethyl-4,7,10,13,16,19,22,25-octaoxo-3,6,9,12,15,18,21,24-octaazaoctacosane-1,28-dioic acid

Molecular Formula : C₉₃H₁₆₂N₃₂O₃₄

Molecular Weight : 2,272.48

MDL No. : MFCD10567371

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Basic information

GHS
Smiles	[C@H]([C@@H](C)CC)(C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(=O)N
Inchi	InChI=1S/C93H162N32O34/c1-14-42(7)69(89(156)110-47(12)91(158)159)123-79(146)53(24-26-63(97)131)116-81(148)54(30-40(3)4)111-65(133)35-105-72(139)44(9)107-73(140)45(10)108-80(147)57(33-67(135)136)119-84(151)58(34-68(137)138)118-76(143)50(20-16-17-27-94)113-74(141)46(11)109-85(152)60(38-127)121-83(150)56(32-64(98)132)120-90(157)70(43(8)15-2)124-78(145)52(22-19-29-104-93(101)102)115-86(153)59(37-126)112-66(134)36-106-88(155)71(48(13)129)125-87(154)61(39-128)122-82(149)55(31-41(5)6)117-77(144)51(21-18-28-103-92(99)100)114-75(142)49(95)23-25-62(96)130/h40-61,69-71,126-129H,14-39,94-95H2,1-13H3,(H2,96,130)(H2,97,131)(H2,98,132)(H,105,139)(H,106,155)(H,107,140)(H,108,147)(H,109,152)(H,110,156)(H,111,133)(H,112,134)(H,113,141)(H,114,142)(H,115,153)(H,116,148)(H,117,144)(H,118,143)(H,119,151)(H,120,157)(H,121,150)(H,122,149)(H,123,146)(H,124,145)(H,125,154)(H,135,136)(H,137,138)(H,158,159)(H4,99,100,103)(H4,101,102,104)/t42-,43-,44-,45-,46-,47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,69-,70-,71-/m0/s1
InchiKey	APMFZSYJLNYAAU-SRQOELEMSA-N
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