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

Structural Information

Molecular Formula

C₇₈H₈₈N₂₆O₂₈S₈

SMILES

C1=CC(=CC=C1NC2=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=C(C=C8)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)NC9=CC=C(C=C9)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)S(=O)(=O)N(CCC(=O)N)CCC(=O)N

InChI

InChI=1S/C78H88N26O28S8/c79-65(105)25-33-101(34-26-66(80)106)133(113,114)53-13-1-45(2-14-53)89-73-95-74(90-46-3-15-54(16-4-46)134(115,116)102(35-27-67(81)107)36-28-68(82)108)98-77(97-73)93-51-11-23-59(63(43-51)139(127,128)129)87-49-9-21-57(61(41-49)137(121,122)123)58-22-10-50(42-62(58)138(124,125)126)88-60-24-12-52(44-64(60)140(130,131)132)94-78-99-75(91-47-5-17-55(18-6-47)135(117,118)103(37-29-69(83)109)38-30-70(84)110)96-76(100-78)92-48-7-19-56(20-8-48)136(119,120)104(39-31-71(85)111)40-32-72(86)112/h1-24,41-44,87-88H,25-40H2,(H2,79,105)(H2,80,106)(H2,81,107)(H2,82,108)(H2,83,109)(H2,84,110)(H2,85,111)(H2,86,112)(H,121,122,123)(H,124,125,126)(H,127,128,129)(H,130,131,132)(H3,89,90,93,95,97,98)(H3,91,92,94,96,99,100)

InChIKey

DKZZNHXGWGKYIM-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131827