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

Structural Information

Molecular Formula

C₈₀H₉₂N₂₆O₂₂S₆

SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC(=CC=C5)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)NC6=CC(=CC=C6)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)S(=O)(=O)O)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

InChI

InChI=1S/C80H92N26O22S6/c1-47-39-49(15-19-61(47)95-63-21-17-55(45-65(63)133(123,124)125)93-79-99-75(89-51-7-3-11-57(41-51)129(115,116)103(31-23-67(81)107)32-24-68(82)108)97-76(100-79)90-52-8-4-12-58(42-52)130(117,118)104(33-25-69(83)109)34-26-70(84)110)50-16-20-62(48(2)40-50)96-64-22-18-56(46-66(64)134(126,127)128)94-80-101-77(91-53-9-5-13-59(43-53)131(119,120)105(35-27-71(85)111)36-28-72(86)112)98-78(102-80)92-54-10-6-14-60(44-54)132(121,122)106(37-29-73(87)113)38-30-74(88)114/h3-22,39-46,95-96H,23-38H2,1-2H3,(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)(H3,89,90,93,97,99,100)(H3,91,92,94,98,101,102)

InChIKey

XZSYZUUQMFNEKS-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131811