Mdl100719

Structural Information

Molecular Formula

C₉₃H₇₆N₁₄O₄₃S₁₂

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)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)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C93H76N14O43S12/c1-47-3-7-49(8-4-47)94-87(108)96-51-11-23-63(75(35-51)151(115,116)117)65-25-13-53(37-77(65)153(121,122)123)98-89(110)100-55-15-27-67(79(39-55)155(127,128)129)69-29-17-57(41-81(69)157(133,134)135)102-91(112)104-59-19-31-71(83(43-59)159(139,140)141)73-33-21-61(45-85(73)161(145,146)147)106-93(114)107-62-22-34-74(86(46-62)162(148,149)150)72-32-20-60(44-84(72)160(142,143)144)105-92(113)103-58-18-30-70(82(42-58)158(136,137)138)68-28-16-56(40-80(68)156(130,131)132)101-90(111)99-54-14-26-66(78(38-54)154(124,125)126)64-24-12-52(36-76(64)152(118,119)120)97-88(109)95-50-9-5-48(2)6-10-50/h3-46H,1-2H3,(H2,94,96,108)(H2,95,97,109)(H2,98,100,110)(H2,99,101,111)(H2,102,104,112)(H2,103,105,113)(H2,106,107,114)(H,115,116,117)(H,118,119,120)(H,121,122,123)(H,124,125,126)(H,127,128,129)(H,130,131,132)(H,133,134,135)(H,136,137,138)(H,139,140,141)(H,142,143,144)(H,145,146,147)(H,148,149,150)

InChIKey

DQDXPWVDLKPSOE-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131486