Mdl100211

Structural Information

Molecular Formula

C₈₀H₆₆N₁₂O₃₆S₁₀

SMILES

CC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)C5=C(C=C(C=C5)NC(=O)NC6=CC(=C(C=C6)C7=C(C=C(C=C7)NC(=O)NC8=CC(=C(C=C8)C9=C(C=C(C=C9)NC(=O)NC1=CC(=C(C=C1)C1=C(C=C(C=C1)NC(=O)NC1=CC=C(C=C1)C)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C80H66N12O36S10/c1-41-3-7-43(8-4-41)81-75(93)83-45-11-21-55(65(31-45)129(99,100)101)57-23-13-47(33-67(57)131(105,106)107)85-77(95)87-49-15-25-59(69(35-49)133(111,112)113)61-27-17-51(37-71(61)135(117,118)119)89-79(97)91-53-19-29-63(73(39-53)137(123,124)125)64-30-20-54(40-74(64)138(126,127)128)92-80(98)90-52-18-28-62(72(38-52)136(120,121)122)60-26-16-50(36-70(60)134(114,115)116)88-78(96)86-48-14-24-58(68(34-48)132(108,109)110)56-22-12-46(32-66(56)130(102,103)104)84-76(94)82-44-9-5-42(2)6-10-44/h3-40H,1-2H3,(H2,81,83,93)(H2,82,84,94)(H2,85,87,95)(H2,86,88,96)(H2,89,91,97)(H2,90,92,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H,117,118,119)(H,120,121,122)(H,123,124,125)(H,126,127,128)

InChIKey

TXKKPQNYRJRZQT-UHFFFAOYSA-N

Compound name

5-[(4-methylphenyl)carbamoylamino]-2-[4-[[4-[4-[[4-[4-[[4-[4-[[4-[4-[(4-methylphenyl)carbamoylamino]-2-sulfophenyl]-3-sulfophenyl]carbamoylamino]-2-sulfophenyl]-3-sulfophenyl]carbamoylamino]-2-sulfophenyl]-3-sulfophenyl]carbamoylamino]-2-sulfophenyl]-3-sulfophenyl]carbamoylamino]-2-sulfophenyl]benzenesulfonic acid

Related CIDs

• CID 16131487