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

C₆₆H₆₈N₂₂O₂₄S₈

SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCC(=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)NCCC(=O)N)NC9=CC(=CC=C9)S(=O)(=O)NCCC(=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)NCCC(=O)N

InChI

InChI=1S/C66H68N22O24S8/c67-57(89)21-25-71-113(93,94)45-9-1-5-37(29-45)77-61-83-62(78-38-6-2-10-46(30-38)114(95,96)72-26-22-58(68)90)86-65(85-61)81-43-15-19-51(55(35-43)119(107,108)109)75-41-13-17-49(53(33-41)117(101,102)103)50-18-14-42(34-54(50)118(104,105)106)76-52-20-16-44(36-56(52)120(110,111)112)82-66-87-63(79-39-7-3-11-47(31-39)115(97,98)73-27-23-59(69)91)84-64(88-66)80-40-8-4-12-48(32-40)116(99,100)74-28-24-60(70)92/h1-20,29-36,71-76H,21-28H2,(H2,67,89)(H2,68,90)(H2,69,91)(H2,70,92)(H,101,102,103)(H,104,105,106)(H,107,108,109)(H,110,111,112)(H3,77,78,81,83,85,86)(H3,79,80,82,84,87,88)

InChIKey

QSUBXTITASBXFL-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131821