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

Structural Information

Molecular Formula

C₈₀H₉₂N₂₆O₂₈S₈

SMILES

CC1=CC(=C(C=C1NC2=C(C=C(C=C2)NC3=NC(=NC(=N3)NC4=CC(=CC=C4)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)NC5=CC(=CC=C5)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)S(=O)(=O)O)S(=O)(=O)O)C6=C(C=C(C(=C6)C)NC7=C(C=C(C=C7)NC8=NC(=NC(=N8)NC9=CC(=CC=C9)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)NC1=CC(=CC=C1)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C80H92N26O28S8/c1-45-35-57(63(139(123,124)125)43-61(45)95-59-17-15-51(41-65(59)141(129,130)131)93-79-99-75(89-47-7-3-11-53(37-47)135(115,116)103(27-19-67(81)107)28-20-68(82)108)97-76(100-79)90-48-8-4-12-54(38-48)136(117,118)104(29-21-69(83)109)30-22-70(84)110)58-36-46(2)62(44-64(58)140(126,127)128)96-60-18-16-52(42-66(60)142(132,133)134)94-80-101-77(91-49-9-5-13-55(39-49)137(119,120)105(31-23-71(85)111)32-24-72(86)112)98-78(102-80)92-50-10-6-14-56(40-50)138(121,122)106(33-25-73(87)113)34-26-74(88)114/h3-18,35-44,95-96H,19-34H2,1-2H3,(H2,81,107)(H2,82,108)(H2,83,109)(H2,84,110)(H2,85,111)(H2,86,112)(H2,87,113)(H2,88,114)(H,123,124,125)(H,126,127,128)(H,129,130,131)(H,132,133,134)(H3,89,90,93,97,99,100)(H3,91,92,94,98,101,102)

InChIKey

DULVOPDQNNCRAV-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131809