5-[4-[[4,6-bis[5-[bis(3-amino-3-oxo-propyl)sulfamoyl]-2-methyl-anilino]-1,3,5-triazin-2-yl]amino]-2-sulfo-anilino]-2-[4-[4-[[4,6-bis[5-[bis(3-amino-3-oxo-propyl)sulfamoyl]-2-methyl-anilino]-1,3,5-triazin-2-yl]amino]-2-sulfo-anilino]-2-sulfo-phenyl]benzenesulfonic acid

Structural Information

Molecular Formula

C₈₂H₉₆N₂₆O₂₈S₈

SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)NC4=CC(=C(C=C4)C5=C(C=C(C=C5)NC6=C(C=C(C=C6)NC7=NC(=NC(=N7)NC8=C(C=CC(=C8)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)C)NC9=C(C=CC(=C9)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)C)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC1=C(C=CC(=C1)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)C

InChI

InChI=1S/C82H96N26O28S8/c1-45-5-13-53(137(117,118)105(29-21-69(83)109)30-22-70(84)110)41-61(45)95-79-99-77(100-80(103-79)96-62-42-54(14-6-46(62)2)138(119,120)106(31-23-71(85)111)32-24-72(86)112)93-51-11-19-59(67(39-51)143(131,132)133)91-49-9-17-57(65(37-49)141(125,126)127)58-18-10-50(38-66(58)142(128,129)130)92-60-20-12-52(40-68(60)144(134,135)136)94-78-101-81(97-63-43-55(15-7-47(63)3)139(121,122)107(33-25-73(87)113)34-26-74(88)114)104-82(102-78)98-64-44-56(16-8-48(64)4)140(123,124)108(35-27-75(89)115)36-28-76(90)116/h5-20,37-44,91-92H,21-36H2,1-4H3,(H2,83,109)(H2,84,110)(H2,85,111)(H2,86,112)(H2,87,113)(H2,88,114)(H2,89,115)(H2,90,116)(H,125,126,127)(H,128,129,130)(H,131,132,133)(H,134,135,136)(H3,93,95,96,99,100,103)(H3,94,97,98,101,102,104)

InChIKey

UMEYERBDRSQZFK-UHFFFAOYSA-N

Compound name

5-[4-[[4,6-bis[5-[bis(3-amino-3-oxopropyl)sulfamoyl]-2-methylanilino]-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-2-[4-[4-[[4,6-bis[5-[bis(3-amino-3-oxopropyl)sulfamoyl]-2-methylanilino]-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-2-sulfophenyl]benzenesulfonic acid

Related CIDs

• CID 16131831