About N-benzyl-2-[18-[1-(benzylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-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-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-trifluorobutanamide;[2-[4-[[7,18-bis[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[(4-prop-2-enoyloxy-2-pyridinyl)oxy]phenoxy]-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]phenoxy]-4-pyridinyl] prop-2-enoate;[3-[4-[[7,18-bis[1-(2-ethoxyethylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-(3-prop-2-enoyloxycyclohexyl)oxyphenoxy]-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]phenoxy]cyclohexyl] prop-2-enoate;[3-[4-[[6,8,17,19-tetraoxo-7,18-bis[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-14,22,26-tris[4-(3-prop-2-enoyloxyphenoxy)phenoxy]-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]phenoxy]phenyl] prop-2-enoate
N-benzyl-2-[18-[1-(benzylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-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-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-trifluorobutanamide;[2-[4-[[7,18-bis[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[(4-prop-2-enoyloxy-2-pyridinyl)oxy]phenoxy]-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]phenoxy]-4-pyridinyl] prop-2-enoate;[3-[4-[[7,18-bis[1-(2-ethoxyethylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-(3-prop-2-enoyloxycyclohexyl)oxyphenoxy]-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]phenoxy]cyclohexyl] prop-2-enoate;[3-[4-[[6,8,17,19-tetraoxo-7,18-bis[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-14,22,26-tris[4-(3-prop-2-enoyloxyphenoxy)phenoxy]-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]phenoxy]phenyl] prop-2-enoate (PubChem CID 167697187) has the molecular formula C422H336Cl4F6N22O82
and a molecular weight of 7283.20 g/mol. Its IUPAC name is N-benzyl-2-[18-[1-(benzylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-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-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-trifluorobutanamide;[2-[4-[[7,18-bis[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[(4-prop-2-enoyloxy-2-pyridinyl)oxy]phenoxy]-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]phenoxy]-4-pyridinyl] prop-2-enoate;[3-[4-[[7,18-bis[1-(2-ethoxyethylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-(3-prop-2-enoyloxycyclohexyl)oxyphenoxy]-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]phenoxy]cyclohexyl] prop-2-enoate;[3-[4-[[6,8,17,19-tetraoxo-7,18-bis[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-14,22,26-tris[4-(3-prop-2-enoyloxyphenoxy)phenoxy]-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]phenoxy]phenyl] prop-2-enoate.
Frequently Asked Questions
What is the IUPAC name of N-benzyl-2-[18-[1-(benzylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-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-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-trifluorobutanamide;[2-[4-[[7,18-bis[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[(4-prop-2-enoyloxy-2-pyridinyl)oxy]phenoxy]-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]phenoxy]-4-pyridinyl] prop-2-enoate;[3-[4-[[7,18-bis[1-(2-ethoxyethylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-(3-prop-2-enoyloxycyclohexyl)oxyphenoxy]-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]phenoxy]cyclohexyl] prop-2-enoate;[3-[4-[[6,8,17,19-tetraoxo-7,18-bis[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-14,22,26-tris[4-(3-prop-2-enoyloxyphenoxy)phenoxy]-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]phenoxy]phenyl] prop-2-enoate?
The IUPAC name of N-benzyl-2-[18-[1-(benzylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-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-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-trifluorobutanamide;[2-[4-[[7,18-bis[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[(4-prop-2-enoyloxy-2-pyridinyl)oxy]phenoxy]-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]phenoxy]-4-pyridinyl] prop-2-enoate;[3-[4-[[7,18-bis[1-(2-ethoxyethylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-(3-prop-2-enoyloxycyclohexyl)oxyphenoxy]-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]phenoxy]cyclohexyl] prop-2-enoate;[3-[4-[[6,8,17,19-tetraoxo-7,18-bis[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-14,22,26-tris[4-(3-prop-2-enoyloxyphenoxy)phenoxy]-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]phenoxy]phenyl] prop-2-enoate (CID 167697187) is N-benzyl-2-[18-[1-(benzylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-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-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-trifluorobutanamide;[2-[4-[[7,18-bis[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[(4-prop-2-enoyloxy-2-pyridinyl)oxy]phenoxy]-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]phenoxy]-4-pyridinyl] prop-2-enoate;[3-[4-[[7,18-bis[1-(2-ethoxyethylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-(3-prop-2-enoyloxycyclohexyl)oxyphenoxy]-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]phenoxy]cyclohexyl] prop-2-enoate;[3-[4-[[6,8,17,19-tetraoxo-7,18-bis[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-14,22,26-tris[4-(3-prop-2-enoyloxyphenoxy)phenoxy]-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]phenoxy]phenyl] prop-2-enoate.
What is the SMILES notation for N-benzyl-2-[18-[1-(benzylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-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-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-trifluorobutanamide;[2-[4-[[7,18-bis[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[(4-prop-2-enoyloxy-2-pyridinyl)oxy]phenoxy]-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]phenoxy]-4-pyridinyl] prop-2-enoate;[3-[4-[[7,18-bis[1-(2-ethoxyethylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-(3-prop-2-enoyloxycyclohexyl)oxyphenoxy]-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]phenoxy]cyclohexyl] prop-2-enoate;[3-[4-[[6,8,17,19-tetraoxo-7,18-bis[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-14,22,26-tris[4-(3-prop-2-enoyloxyphenoxy)phenoxy]-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]phenoxy]phenyl] prop-2-enoate?
The canonical SMILES for N-benzyl-2-[18-[1-(benzylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-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-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-trifluorobutanamide;[2-[4-[[7,18-bis[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[(4-prop-2-enoyloxy-2-pyridinyl)oxy]phenoxy]-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]phenoxy]-4-pyridinyl] prop-2-enoate;[3-[4-[[7,18-bis[1-(2-ethoxyethylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-(3-prop-2-enoyloxycyclohexyl)oxyphenoxy]-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]phenoxy]cyclohexyl] prop-2-enoate;[3-[4-[[6,8,17,19-tetraoxo-7,18-bis[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-14,22,26-tris[4-(3-prop-2-enoyloxyphenoxy)phenoxy]-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]phenoxy]phenyl] prop-2-enoate is 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)NCc2ccccc2)C7=O)C(=O)N(C(CC(F)(F)F)C(=O)NCc2ccccc2)C3=O)cc1.C=CC(=O)OC1CCCC(Oc2ccc(Oc3cc4c5c(cc(Oc6ccc(OC7CCCC(OC(=O)C=C)C7)cc6)c6c7c(Oc8ccc(OC9CCCC(OC(=O)C=C)C9)cc8)cc8c9c(cc(Oc%10ccc(OC%11CCCC(OC(=O)C=C)C%11)cc%10)c(c3c56)c97)C(=O)N(C(Cc3ccccc3)C(=O)NCCOCC)C8=O)C(=O)N(C(Cc3ccccc3)C(=O)NCCOCC)C4=O)cc2)C1.C=CC(=O)Oc1cccc(Oc2ccc(Oc3cc4c5c(cc(Oc6ccc(Oc7cccc(OC(=O)C=C)c7)cc6)c6c7c(Oc8ccc(Oc9cccc(OC(=O)C=C)c9)cc8)cc8c9c(cc(Oc%10ccc(Oc%11cccc(OC(=O)C=C)c%11)cc%10)c(c3c56)c97)C(=O)N(C(Cc3ccccc3)C(=O)NCCC)C8=O)C(=O)N(C(Cc3ccccc3)C(=O)NCCC)C4=O)cc2)c1.C=CC(=O)Oc1ccnc(Oc2ccc(Oc3cc4c5c(cc(Oc6ccc(Oc7cc(OC(=O)C=C)ccn7)cc6)c6c7c(Oc8ccc(Oc9cc(OC(=O)C=C)ccn9)cc8)cc8c9c(cc(Oc%10ccc(Oc%11cc(OC(=O)C=C)ccn%11)cc%10)c(c3c56)c97)C(=O)N(C(Cc3ccccc3)C(=O)NCc3ccccc3)C8=O)C(=O)N(C(Cc3ccccc3)C(=O)NCc3ccccc3)C4=O)cc2)c1.
What is the InChIKey of N-benzyl-2-[18-[1-(benzylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-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-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-trifluorobutanamide;[2-[4-[[7,18-bis[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[(4-prop-2-enoyloxy-2-pyridinyl)oxy]phenoxy]-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]phenoxy]-4-pyridinyl] prop-2-enoate;[3-[4-[[7,18-bis[1-(2-ethoxyethylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-(3-prop-2-enoyloxycyclohexyl)oxyphenoxy]-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]phenoxy]cyclohexyl] prop-2-enoate;[3-[4-[[6,8,17,19-tetraoxo-7,18-bis[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-14,22,26-tris[4-(3-prop-2-enoyloxyphenoxy)phenoxy]-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]phenoxy]phenyl] prop-2-enoate?
The InChIKey is XVHHTZUGYXCOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H76N8O22.C110H108N4O24.C108H80N4O22.C92H72Cl4F6N6O14/c1-5-95(121)139-77-45-49-113-91(55-77)135-73-37-29-69(30-38-73)131-87-59-81-99-82(110(128)119(109(81)127)85(53-65-21-13-9-14-22-65)107(125)117-63-67-25-17-11-18-26-67)61-89(133-71-33-41-75(42-34-71)137-93-57-79(47-51-115-93)141-97(123)7-3)103-104-90(134-72-35-43-76(44-36-72)138-94-58-80(48-52-116-94)142-98(124)8-4)62-84-100-83(111(129)120(112(84)130)86(54-66-23-15-10-16-24-66)108(126)118-64-68-27-19-12-20-28-68)60-88(102(106(100)104)101(87)105(99)103)132-70-31-39-74(40-32-70)136-92-56-78(46-50-114-92)140-96(122)6-2;1-7-93(115)135-79-31-19-27-75(57-79)127-67-35-43-71(44-36-67)131-89-61-83-97-84(108(122)113(107(83)121)87(55-65-23-15-13-16-24-65)105(119)111-51-53-125-11-5)63-91(133-73-47-39-69(40-48-73)129-77-29-21-33-81(59-77)137-95(117)9-3)101-102-92(134-74-49-41-70(42-50-74)130-78-30-22-34-82(60-78)138-96(118)10-4)64-86-98-85(109(123)114(110(86)124)88(56-66-25-17-14-18-26-66)106(120)112-52-54-126-12-6)62-90(100(104(98)102)99(89)103(97)101)132-72-45-37-68(38-46-72)128-76-28-20-32-80(58-76)136-94(116)8-2;1-7-51-109-103(117)85(53-63-23-15-13-16-24-63)111-105(119)81-59-87(127-69-43-35-65(36-44-69)123-73-27-19-31-77(55-73)131-91(113)9-3)97-99-89(129-71-47-39-67(40-48-71)125-75-29-21-33-79(57-75)133-93(115)11-5)61-83-96-84(108(122)112(107(83)121)86(104(118)110-52-8-2)54-64-25-17-14-18-26-64)62-90(130-72-49-41-68(42-50-72)126-76-30-22-34-80(58-76)134-94(116)12-6)100(102(96)99)98-88(60-82(106(111)120)95(81)101(97)98)128-70-45-37-66(38-46-70)124-74-28-20-32-78(56-74)132-92(114)10-4;1-49(93)69(109)19-11-17-53-21-29-59(30-22-53)119-71-41-63-75-64(88(116)107(87(63)115)67(45-91(97,98)99)85(113)105-47-57-13-7-5-8-14-57)42-72(120-60-31-23-54(24-32-60)18-12-20-70(110)50(2)94)78-80-74(122-62-35-27-56(28-36-62)38-40-104-84(112)52(4)96)44-66-76-65(89(117)108(90(66)118)68(46-92(100,101)102)86(114)106-48-58-15-9-6-10-16-58)43-73(79(82(76)80)77(71)81(75)78)121-61-33-25-55(26-34-61)37-39-103-83(111)51(3)95/h5-52,55-62,85-86H,1-4,53-54,63-64H2,(H,117,125)(H,118,126);7-10,13-18,23-26,35-50,61-64,75-82,87-88H,1-4,11-12,19-22,27-34,51-60H2,5-6H3,(H,111,119)(H,112,120);9-50,55-62,85-86H,3-8,51-54H2,1-2H3,(H,109,117)(H,110,118);5-10,13-16,21-36,41-44,67-68H,1-4,11-12,17-20,37-40,45-48H2,(H,103,111)(H,104,112)(H,105,113)(H,106,114).
What are the key properties of N-benzyl-2-[18-[1-(benzylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-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-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-trifluorobutanamide;[2-[4-[[7,18-bis[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[(4-prop-2-enoyloxy-2-pyridinyl)oxy]phenoxy]-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]phenoxy]-4-pyridinyl] prop-2-enoate;[3-[4-[[7,18-bis[1-(2-ethoxyethylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-(3-prop-2-enoyloxycyclohexyl)oxyphenoxy]-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]phenoxy]cyclohexyl] prop-2-enoate;[3-[4-[[6,8,17,19-tetraoxo-7,18-bis[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-14,22,26-tris[4-(3-prop-2-enoyloxyphenoxy)phenoxy]-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]phenoxy]phenyl] prop-2-enoate?
N-benzyl-2-[18-[1-(benzylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-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-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-trifluorobutanamide;[2-[4-[[7,18-bis[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[(4-prop-2-enoyloxy-2-pyridinyl)oxy]phenoxy]-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]phenoxy]-4-pyridinyl] prop-2-enoate;[3-[4-[[7,18-bis[1-(2-ethoxyethylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-(3-prop-2-enoyloxycyclohexyl)oxyphenoxy]-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]phenoxy]cyclohexyl] prop-2-enoate;[3-[4-[[6,8,17,19-tetraoxo-7,18-bis[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-14,22,26-tris[4-(3-prop-2-enoyloxyphenoxy)phenoxy]-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]phenoxy]phenyl] prop-2-enoate has a molecular weight of 7283.20 g/mol, XLogP of 81.76, 148 rotatable bonds, 10 hydrogen bond donors, and 86 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[18-[1-(benzylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-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-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-trifluorobutanamide;[2-[4-[[7,18-bis[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[(4-prop-2-enoyloxy-2-pyridinyl)oxy]phenoxy]-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]phenoxy]-4-pyridinyl] prop-2-enoate;[3-[4-[[7,18-bis[1-(2-ethoxyethylamino)-1-oxo-3-phenylpropan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-(3-prop-2-enoyloxycyclohexyl)oxyphenoxy]-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]phenoxy]cyclohexyl] prop-2-enoate;[3-[4-[[6,8,17,19-tetraoxo-7,18-bis[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-14,22,26-tris[4-(3-prop-2-enoyloxyphenoxy)phenoxy]-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]phenoxy]phenyl] prop-2-enoate is sourced from PubChem (CID 167697187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).