Mdl100642

Structural Information

Molecular Formula

C₁₁₉H₉₆N₁₈O₅₇S₁₆

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

InChI

InChI=1S/C119H96N18O57S16/c1-59-3-7-61(8-4-59)120-111(138)122-63-11-27-79(95(43-63)195(147,148)149)81-29-13-65(45-97(81)197(153,154)155)124-113(140)126-67-15-31-83(99(47-67)199(159,160)161)85-33-17-69(49-101(85)201(165,166)167)128-115(142)130-71-19-35-87(103(51-71)203(171,172)173)89-37-21-73(53-105(89)205(177,178)179)132-117(144)134-75-23-39-91(107(55-75)207(183,184)185)93-41-25-77(57-109(93)209(189,190)191)136-119(146)137-78-26-42-94(110(58-78)210(192,193)194)92-40-24-76(56-108(92)208(186,187)188)135-118(145)133-74-22-38-90(106(54-74)206(180,181)182)88-36-20-72(52-104(88)204(174,175)176)131-116(143)129-70-18-34-86(102(50-70)202(168,169)170)84-32-16-68(48-100(84)200(162,163)164)127-114(141)125-66-14-30-82(98(46-66)198(156,157)158)80-28-12-64(44-96(80)196(150,151)152)123-112(139)121-62-9-5-60(2)6-10-62/h3-58H,1-2H3,(H2,120,122,138)(H2,121,123,139)(H2,124,126,140)(H2,125,127,141)(H2,128,130,142)(H2,129,131,143)(H2,132,134,144)(H2,133,135,145)(H2,136,137,146)(H,147,148,149)(H,150,151,152)(H,153,154,155)(H,156,157,158)(H,159,160,161)(H,162,163,164)(H,165,166,167)(H,168,169,170)(H,171,172,173)(H,174,175,176)(H,177,178,179)(H,180,181,182)(H,183,184,185)(H,186,187,188)(H,189,190,191)(H,192,193,194)

InChIKey

SWRDKKRQKKZMGE-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131484