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-[(e)-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-sulfo-phenyl]vinyl]benzenesulfonic acid

Structural Information

Molecular Formula

C₈₀H₉₀N₂₆O₂₈S₈

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)/C=C/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)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC1=CC(=CC=C1)S(=O)(=O)N(CCC(=O)N)CCC(=O)N

InChI

InChI=1S/C80H90N26O28S8/c81-67(107)23-31-103(32-24-68(82)108)135(115,116)57-9-1-5-49(39-57)91-75-97-76(92-50-6-2-10-58(40-50)136(117,118)104(33-25-69(83)109)34-26-70(84)110)100-79(99-75)95-55-19-21-61(65(45-55)141(129,130)131)89-53-17-15-47(63(43-53)139(123,124)125)13-14-48-16-18-54(44-64(48)140(126,127)128)90-62-22-20-56(46-66(62)142(132,133)134)96-80-101-77(93-51-7-3-11-59(41-51)137(119,120)105(35-27-71(85)111)36-28-72(86)112)98-78(102-80)94-52-8-4-12-60(42-52)138(121,122)106(37-29-73(87)113)38-30-74(88)114/h1-22,39-46,89-90H,23-38H2,(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)(H3,91,92,95,97,99,100)(H3,93,94,96,98,101,102)/b14-13+

InChIKey

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

Related CIDs

• CID 16131803