2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate

C348H279Cl12F27N26O60 — CID 167623964

About 2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate

2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate (PubChem CID 167623964) has the molecular formula C348H279Cl12F27N26O60 and a molecular weight of 6723.56 g/mol. Its IUPAC name is 2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate.

Molecular Properties

• Compound Name: 2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate
• PubChem CID: 167623964
• Molecular Formula: C348H279Cl12F27N26O60
• Molecular Weight: 6723.56 g/mol
• Exact Mass: 6713.54
• IUPAC Name: 2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate
• SMILES: C=C(C)C(=O)CCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCCC(=O)C(=C)C)cc5)c5c6c(Oc7ccc(CCNC(=O)C(=C)C)cc7)cc7c8c(cc(Oc9ccc(CCNC(=O)C(=C)C)cc9)c(c2c45)c86)C(=O)N(CC(=O)Nc2ccncc2)C7=O)C(=O)N(CC(=O)Nc2ccncc2)C3=O)cc1.C=C(Cl)C(=O)CCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCCC(=O)C(=C)Cl)cc5)c5c6c(Oc7ccc(CCNC(=O)C(=C)Cl)cc7)cc7c8c(cc(Oc9ccc(CCNC(=O)C(=C)Cl)cc9)c(c2c45)c86)C(=O)N(C(CC(F)(F)F)C(=O)NC(C)C(F)(F)F)C7=O)C(=O)N(C(CC(F)(F)F)C(=O)NC(C(F)(F)F)C(F)(F)F)C3=O)cc1.C=C(Cl)C(=O)CCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCCC(=O)C(=C)Cl)cc5)c5c6c(Oc7ccc(CCNC(=O)C(=C)Cl)cc7)cc7c8c(cc(Oc9ccc(CCNC(=O)C(=C)Cl)cc9)c(c2c45)c86)C(=O)N(C(CC(F)(F)F)C(=O)Nc2ccncc2)C7=O)C(=O)N(C(CC(F)(F)F)C(=O)Nc2ccncc2)C3=O)cc1.C=C(Cl)C(=O)OCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCOC(=O)C(=C)Cl)cc5)c5c6c(Oc7ccc(CCOC(=O)C(=C)Cl)cc7)cc7c8c(cc(Oc9ccc(CCOC(=O)C(=C)Cl)cc9)c(c2c45)c86)C(=O)N(C(CC(F)(F)F)C(=O)NC2CCCCC2)C7=O)C(=O)N(C(CC(F)(F)F)C(=O)NC2CCCCC2)C3=O)cc1
• InChI: InChI=1S/C88H66Cl4F6N8O14.C88H74Cl4F6N4O18.C88H76N8O14.C84H63Cl4F15N6O14/c1-45(89)65(107)9-5-7-49-11-19-55(20-12-49)117-67-39-59-71-60(84(114)105(83(59)113)63(43-87(93,94)95)81(111)103-53-29-33-99-34-30-53)40-68(118-56-21-13-50(14-22-56)8-6-10-66(108)46(2)90)74-76-70(120-58-25-17-52(18-26-58)28-38-102-80(110)48(4)92)42-62-72-61(85(115)106(86(62)116)64(44-88(96,97)98)82(112)104-54-31-35-100-36-32-54)41-69(75(78(72)76)73(67)77(71)74)119-57-23-15-51(16-24-57)27-37-101-79(109)47(3)91;1-45(89)83(109)113-35-31-49-15-23-55(24-16-49)117-65-39-59-69-60(80(106)101(79(59)105)63(43-87(93,94)95)77(103)99-53-11-7-5-8-12-53)41-67(119-57-27-19-51(20-28-57)33-37-115-85(111)47(3)91)73-74-68(120-58-29-21-52(22-30-58)34-38-116-86(112)48(4)92)42-62-70-61(81(107)102(82(62)108)64(44-88(96,97)98)78(104)100-54-13-9-6-10-14-54)40-66(72(76(70)74)71(65)75(69)73)118-56-25-17-50(18-26-56)32-36-114-84(110)46(2)90;1-49(2)67(97)13-9-11-53-15-23-59(24-16-53)107-69-43-63-75-64(86(104)95(85(63)103)47-73(99)93-57-33-37-89-38-34-57)44-70(108-60-25-17-54(18-26-60)12-10-14-68(98)50(3)4)78-80-72(110-62-29-21-56(22-30-62)32-42-92-84(102)52(7)8)46-66-76-65(87(105)96(88(66)106)48-74(100)94-58-35-39-90-40-36-58)45-71(79(82(76)80)77(69)81(75)78)109-61-27-19-55(20-28-61)31-41-91-83(101)51(5)6;1-38(85)57(110)10-6-8-43-12-20-47(21-13-43)120-59-34-53-64-54(78(119)109(77(53)118)56(37-81(92,93)94)74(115)107-79(83(98,99)100)84(101,102)103)35-60(121-48-22-14-44(15-23-48)9-7-11-58(111)39(2)86)66-68-62(123-50-26-18-46(19-27-50)29-31-105-72(113)41(4)88)33-52-63-51(75(116)108(76(52)117)55(36-80(89,90)91)73(114)106-42(5)82(95,96)97)32-61(67(69(63)68)65(59)70(64)66)122-49-24-16-45(17-25-49)28-30-104-71(112)40(3)87/h11-26,29-36,39-42,63-64H,1-10,27-28,37-38,43-44H2,(H,101,109)(H,102,110)(H,99,103,111)(H,100,104,112);15-30,39-42,53-54,63-64H,1-14,31-38,43-44H2,(H,99,103)(H,100,104);15-30,33-40,43-46H,1,3,5,7,9-14,31-32,41-42,47-48H2,2,4,6,8H3,(H,91,101)(H,92,102)(H,89,93,99)(H,90,94,100);12-27,32-35,42,55-56,79H,1-4,6-11,28-31,36-37H2,5H3,(H,104,112)(H,105,113)(H,106,114)(H,107,115)
• InChIKey: MVDJYPFYBVYYKA-UHFFFAOYSA-N
• XLogP: 73.01
• TPSA: 1113.30 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 64
• Rotatable Bonds: 132
• Heavy Atoms: 473
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	6723.56
LogP ≤ 5	73.01
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of 2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate?

The IUPAC name of 2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate (CID 167623964) is 2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate.

What is the SMILES notation for 2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate?

The canonical SMILES for 2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate is C=C(C)C(=O)CCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCCC(=O)C(=C)C)cc5)c5c6c(Oc7ccc(CCNC(=O)C(=C)C)cc7)cc7c8c(cc(Oc9ccc(CCNC(=O)C(=C)C)cc9)c(c2c45)c86)C(=O)N(CC(=O)Nc2ccncc2)C7=O)C(=O)N(CC(=O)Nc2ccncc2)C3=O)cc1.C=C(Cl)C(=O)CCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCCC(=O)C(=C)Cl)cc5)c5c6c(Oc7ccc(CCNC(=O)C(=C)Cl)cc7)cc7c8c(cc(Oc9ccc(CCNC(=O)C(=C)Cl)cc9)c(c2c45)c86)C(=O)N(C(CC(F)(F)F)C(=O)NC(C)C(F)(F)F)C7=O)C(=O)N(C(CC(F)(F)F)C(=O)NC(C(F)(F)F)C(F)(F)F)C3=O)cc1.C=C(Cl)C(=O)CCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCCC(=O)C(=C)Cl)cc5)c5c6c(Oc7ccc(CCNC(=O)C(=C)Cl)cc7)cc7c8c(cc(Oc9ccc(CCNC(=O)C(=C)Cl)cc9)c(c2c45)c86)C(=O)N(C(CC(F)(F)F)C(=O)Nc2ccncc2)C7=O)C(=O)N(C(CC(F)(F)F)C(=O)Nc2ccncc2)C3=O)cc1.C=C(Cl)C(=O)OCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCOC(=O)C(=C)Cl)cc5)c5c6c(Oc7ccc(CCOC(=O)C(=C)Cl)cc7)cc7c8c(cc(Oc9ccc(CCOC(=O)C(=C)Cl)cc9)c(c2c45)c86)C(=O)N(C(CC(F)(F)F)C(=O)NC2CCCCC2)C7=O)C(=O)N(C(CC(F)(F)F)C(=O)NC2CCCCC2)C3=O)cc1.

What is the InChIKey of 2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate?

The InChIKey is MVDJYPFYBVYYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H66Cl4F6N8O14.C88H74Cl4F6N4O18.C88H76N8O14.C84H63Cl4F15N6O14/c1-45(89)65(107)9-5-7-49-11-19-55(20-12-49)117-67-39-59-71-60(84(114)105(83(59)113)63(43-87(93,94)95)81(111)103-53-29-33-99-34-30-53)40-68(118-56-21-13-50(14-22-56)8-6-10-66(108)46(2)90)74-76-70(120-58-25-17-52(18-26-58)28-38-102-80(110)48(4)92)42-62-72-61(85(115)106(86(62)116)64(44-88(96,97)98)82(112)104-54-31-35-100-36-32-54)41-69(75(78(72)76)73(67)77(71)74)119-57-23-15-51(16-24-57)27-37-101-79(109)47(3)91;1-45(89)83(109)113-35-31-49-15-23-55(24-16-49)117-65-39-59-69-60(80(106)101(79(59)105)63(43-87(93,94)95)77(103)99-53-11-7-5-8-12-53)41-67(119-57-27-19-51(20-28-57)33-37-115-85(111)47(3)91)73-74-68(120-58-29-21-52(22-30-58)34-38-116-86(112)48(4)92)42-62-70-61(81(107)102(82(62)108)64(44-88(96,97)98)78(104)100-54-13-9-6-10-14-54)40-66(72(76(70)74)71(65)75(69)73)118-56-25-17-50(18-26-56)32-36-114-84(110)46(2)90;1-49(2)67(97)13-9-11-53-15-23-59(24-16-53)107-69-43-63-75-64(86(104)95(85(63)103)47-73(99)93-57-33-37-89-38-34-57)44-70(108-60-25-17-54(18-26-60)12-10-14-68(98)50(3)4)78-80-72(110-62-29-21-56(22-30-62)32-42-92-84(102)52(7)8)46-66-76-65(87(105)96(88(66)106)48-74(100)94-58-35-39-90-40-36-58)45-71(79(82(76)80)77(69)81(75)78)109-61-27-19-55(20-28-61)31-41-91-83(101)51(5)6;1-38(85)57(110)10-6-8-43-12-20-47(21-13-43)120-59-34-53-64-54(78(119)109(77(53)118)56(37-81(92,93)94)74(115)107-79(83(98,99)100)84(101,102)103)35-60(121-48-22-14-44(15-23-48)9-7-11-58(111)39(2)86)66-68-62(123-50-26-18-46(19-27-50)29-31-105-72(113)41(4)88)33-52-63-51(75(116)108(76(52)117)55(36-80(89,90)91)73(114)106-42(5)82(95,96)97)32-61(67(69(63)68)65(59)70(64)66)122-49-24-16-45(17-25-49)28-30-104-71(112)40(3)87/h11-26,29-36,39-42,63-64H,1-10,27-28,37-38,43-44H2,(H,101,109)(H,102,110)(H,99,103,111)(H,100,104,112);15-30,39-42,53-54,63-64H,1-14,31-38,43-44H2,(H,99,103)(H,100,104);15-30,33-40,43-46H,1,3,5,7,9-14,31-32,41-42,47-48H2,2,4,6,8H3,(H,91,101)(H,92,102)(H,89,93,99)(H,90,94,100);12-27,32-35,42,55-56,79H,1-4,6-11,28-31,36-37H2,5H3,(H,104,112)(H,105,113)(H,106,114)(H,107,115).

What are the key properties of 2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate?

2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate has a molecular weight of 6723.56 g/mol, XLogP of 73.01, 132 rotatable bonds, 14 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[14,22-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-11,26-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-1-oxobutan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-(1,1,1-trifluoropropan-2-yl)butanamide;2-[11,26-bis[4-(5-chloro-4-oxohex-5-enyl)phenoxy]-14,22-bis[4-[2-(2-chloroprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-[4,4,4-trifluoro-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-4,4,4-trifluoro-N-pyridin-4-ylbutanamide;N-[2-[4-[[14,22-bis[4-(5-methyl-4-oxohex-5-enyl)phenoxy]-26-[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-bis[2-oxo-2-(pyridin-4-ylamino)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl]-2-methylprop-2-enamide;2-[4-[[14,22,26-tris[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-7,18-bis[1-(cyclohexylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]phenyl]ethyl 2-chloroprop-2-enoate is sourced from PubChem (CID 167623964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).