9H-fluoren-9-ylmethyl N-[[4-[2-[2-[[5-[bis[2-[3-[3-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecanoyl-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl]amino]propanoyl-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl]amino]propanoylamino]ethyl]amino]-5-oxidanylidene-pentanoyl]amino]ethylamino]-2-oxidanylidene-ethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[[4-[2-[2-[[5-[bis[2-[3-[3-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecanoyl-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl]amino]propanoyl-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl]amino]propanoylamino]ethyl]amino]-5-oxidanylidene-pentanoyl]amino]ethylamino]-2-oxidanylidene-ethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[[4-[2-[2-[[5-[bis[2-[3-[3-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyl(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]propanoyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]propanoylamino]ethyl]amino]-5-oxo-pentanoyl]amino]ethylamino]-2-oxo-ethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate CAS Name: N-[[4-[2-[2-[[5-[bis[2-[[3-[[3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-oxoundecyl)-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]-1-oxopropyl]-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]-1-oxopropyl]amino]ethyl]amino]-1,5-dioxopentyl]amino]ethylamino]-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[[4-[2-[2-[[5-[bis[2-[3-[3-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyl(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]propanoyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]propanoylamino]ethyl]amino]-5-oxopentanoyl]amino]ethylamino]-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate Traditional Name: N-[[4-[2-[2-[[5-[bis[2-[3-[3-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyl(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]propanoyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)amino]propanoylamino]ethyl]amino]-5-keto-pentanoyl]amino]ethylamino]-2-keto-ethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C121H98F102N10O14 MolecularWeight: 3853.968546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=CC=C(C=C2)OCC(=O)NCCNC(=O)CCCC(=O)N(CCNC(=O)CCN(CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)CCN(CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCNC(=O)CCN(CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)CCN(CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=CC=C(C=C2)OCC(=O)NCCNC(=O)CCCC(=O)N(CCNC(=O)CCN(CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)CCN(CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCNC(=O)CCN(CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)CCN(CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC

InChI

InChI=1S/C121H98F102N10O14/c1-244-55-22-23-60(62(50-55)245-2)72(228-73(243)247-51-61-58-14-5-3-12-56(58)57-13-4-6-15-59(57)61)53-18-20-54(21-19-53)246-52-66(237)225-37-36-224-63(234)16-7-17-67(238)233(48-38-226-64(235)26-44-229(40-8-30-74(122,123)80(134,135)86(146,147)92(158,159)98(170,171)104(182,183)110(194,195)116(206,207)208)70(241)28-46-231(42-10-32-76(126,127)82(138,139)88(150,151)94(162,163)100(174,175)106(186,187)112(198,199)118(212,213)214)68(239)24-34-78(130,131)84(142,143)90(154,155)96(166,167)102(178,179)108(190,191)114(202,203)120(218,219)220)49-39-227-65(236)27-45-230(41-9-31-75(124,125)81(136,137)87(148,149)93(160,161)99(172,173)105(184,185)111(196,197)117(209,210)211)71(242)29-47-232(43-11-33-77(128,129)83(140,141)89(152,153)95(164,165)101(176,177)107(188,189)113(200,201)119(215,216)217)69(240)25-35-79(132,133)85(144,145)91(156,157)97(168,169)103(180,181)109(192,193)115(204,205)121(221,222)223/h3-6,12-15,18-23,50,61,72H,7-11,16-17,24-49,51-52H2,1-2H3,(H,224,234)(H,225,2