Cl-387626

Structural Information

Molecular Formula

C₆₆H₇₈N₂₄O₂₂S₆

SMILES

C1=CC(=CC(=C1)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)NC7=CC(=CC=C7)S(=O)(=O)N(CCC(=O)N)CCC(=O)N)S(=O)(=O)O)S(=O)(=O)O)NC8=CC(=CC=C8)S(=O)(=O)N(CCC(=O)N)CCC(=O)N

InChI

InChI=1S/C66H78N24O22S6/c67-53(91)17-25-87(26-18-54(68)92)113(99,100)45-9-1-5-39(33-45)75-61-81-62(76-40-6-2-10-46(34-40)114(101,102)88(27-19-55(69)93)28-20-56(70)94)84-65(83-61)79-43-13-15-49(51(37-43)117(107,108)109)50-16-14-44(38-52(50)118(110,111)112)80-66-85-63(77-41-7-3-11-47(35-41)115(103,104)89(29-21-57(71)95)30-22-58(72)96)82-64(86-66)78-42-8-4-12-48(36-42)116(105,106)90(31-23-59(73)97)32-24-60(74)98/h1-16,33-38H,17-32H2,(H2,67,91)(H2,68,92)(H2,69,93)(H2,70,94)(H2,71,95)(H2,72,96)(H2,73,97)(H2,74,98)(H,107,108,109)(H,110,111,112)(H3,75,76,79,81,83,84)(H3,77,78,80,82,85,86)

InChIKey

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

Related CIDs

• CID 16134411