Structure

• Smiles: CCC(C)(C(=NC(CCC(=N)O)C(=NC(CCC(=N)O)C(=NC(CC1=CC=CC=C1)CO)O)O)O)N=C(C(C)(C)N=C(C(C(C)C)N=C(C2CCCN2C(=O)C(C)(C)N=C(C(CC(C)C)N=C(CN=C(C(C)(C)N=C(C(C(C)C)N=C(C(C)(C)N=C(C(CCC(=N)O)N=C(C(C)(C)N=C(C(C)(C)N=C(C(C)N=C(C(C)(C)N=C(C3CCCN3C(=O)C(C)(C)N=C(C)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O

• Isomeric smiles: CC[C@@](C)(C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CC1=CC=CC=C1)CO)O)O)O)N=C(C(C)(C)N=C([C@H](C(C)C)N=C([C@@H]2CCCN2C(=O)C(C)(C)N=C([C@H](CC(C)C)N=C(CN=C(C(C)(C)N=C([C@H](C(C)C)N=C(C(C)(C)N=C([C@H](CCC(=N)O)N=C(C(C)(C)N=C(C(C)(C)N=C([C@H](C)N=C(C(C)(C)N=C([C@@H]3CCCN3C(=O)C(C)(C)N=C(C)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O

• Inchi: InChI=1S/C94H155N23O24/c1-27-94(26,83(139)104-57(38-41-63(96)121)70(126)102-56(37-40-62(95)120)69(125)100-55(48-118)46-54-33-29-28-30-34-54)115-82(138)91(20,21)113-75(131)66(50(4)5)105-73(129)60-35-31-43-116(60)85(141)93(24,25)110-72(128)59(45-49(2)3)101-65(123)47-98-77(133)86(10,11)112-76(132)67(51(6)7)106-80(136)88(14,15)109-71(127)58(39-42-64(97)122)103-79(135)89(16,17)114-81(137)90(18,19)108-68(124)52(8)99-78(134)87(12,13)111-74(130)61-36-32-44-117(61)84(140)92(22,23)107-53(9)119/h28-30,33-34,49-52,55-61,66-67,118H,27,31-32,35-48H2,1-26H3,(H2,95,120)(H2,96,121)(H2,97,122)(H,98,133)(H,99,134)(H,100,125)(H,101,123)(H,102,126)(H,103,135)(H,104,139)(H,105,129)(H,106,136)(H,107,119)(H,108,124)(H,109,127)(H,110,128)(H,111,130)(H,112,132)(H,113,131)(H,114,137)(H,115,138)/t52-,55-,56-,57-,58-,59-,60-,61-,66-,67-,94-/m0/s1

• Inchikey: ZTNPFPGCXCKWDW-FAILBIPCSA-N