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]-2-methoxycarbonyl-phenyl]-3-methoxycarbonyl-anilino]benzenesulfonic acid

Structural Information

Molecular Formula

C₈₂H₉₂N₂₆O₂₆S₆

SMILES

COC(=O)C1=C(C=CC(=C1)NC2=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)C6=C(C=C(C=C6)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)C(=O)OC

InChI

InChI=1S/C82H92N26O26S6/c1-133-75(117)61-43-51(91-63-21-17-53(45-65(63)139(127,128)129)97-81-101-77(93-47-7-3-11-55(39-47)135(119,120)105(31-23-67(83)109)32-24-68(84)110)99-78(102-81)94-48-8-4-12-56(40-48)136(121,122)106(33-25-69(85)111)34-26-70(86)112)15-19-59(61)60-20-16-52(44-62(60)76(118)134-2)92-64-22-18-54(46-66(64)140(130,131)132)98-82-103-79(95-49-9-5-13-57(41-49)137(123,124)107(35-27-71(87)113)36-28-72(88)114)100-80(104-82)96-50-10-6-14-58(42-50)138(125,126)108(37-29-73(89)115)38-30-74(90)116/h3-22,39-46,91-92H,23-38H2,1-2H3,(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,127,128,129)(H,130,131,132)(H3,93,94,97,99,101,102)(H3,95,96,98,100,103,104)

InChIKey

GCNBDEDDBGFCGR-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]-2-methoxycarbonylphenyl]-3-methoxycarbonylanilino]benzenesulfonic acid

Related CIDs

• CID 16131815