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]-2-carboxy-phenyl]benzoic acid

Structural Information

Molecular Formula

C₈₀H₈₈N₂₆O₂₆S₆

SMILES

C1=CC(=CC(=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=CC(=CC=C8)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)NC9=CC(=CC=C9)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)S(=O)(=O)O)C(=O)O)C(=O)O)S(=O)(=O)O)NC1=CC(=CC=C1)S(=O)(=O)N(CCC(=O)N)CCC(=O)N

InChI

InChI=1S/C80H88N26O26S6/c81-65(107)21-29-103(30-22-66(82)108)133(119,120)53-9-1-5-45(37-53)91-75-97-76(92-46-6-2-10-54(38-46)134(121,122)104(31-23-67(83)109)32-24-68(84)110)100-79(99-75)95-51-15-19-61(63(43-51)137(127,128)129)89-49-13-17-57(59(41-49)73(115)116)58-18-14-50(42-60(58)74(117)118)90-62-20-16-52(44-64(62)138(130,131)132)96-80-101-77(93-47-7-3-11-55(39-47)135(123,124)105(33-25-69(85)111)34-26-70(86)112)98-78(102-80)94-48-8-4-12-56(40-48)136(125,126)106(35-27-71(87)113)36-28-72(88)114/h1-20,37-44,89-90H,21-36H2,(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,115,116)(H,117,118)(H,127,128,129)(H,130,131,132)(H3,91,92,95,97,99,100)(H3,93,94,96,98,101,102)

InChIKey

OYXARXKNIQMDNZ-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]-2-carboxyphenyl]benzoic acid

Related CIDs

• CID 16131813