N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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

C366H348F18N22O72 — CID 167589677

IUPACN-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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
SMILESC=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)NC(C)C(F)(F)F)C7=O)C(=O)N(CC(=O)NC(C(F)(F)F)C(F)(F)F)C3=O)cc1.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)NC2CCCCC2)C7=O)C(=O)N(CC(=O)NC2CCCCC2)C3=O)cc1.C=CC(=O)OCCOCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCOCCOC(=O)C=C)cc5)c5c6c(Oc7ccc(CCOCCOC(=O)C=C)cc7)cc7c8c(cc(Oc9ccc(CCOCCOC(=O)C=C)cc9)c(c2c45)c86)C(=O)N(C(C(=O)NC(C(F)(F)F)C(F)(F)F)C(C)CC)C7=O)C(=O)N(C(C(=O)NC(C)C(F)(F)F)C(C)CC)C3=O)cc1.C=CC(=O)OCCOCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCOCCOC(=O)C=C)cc5)c5c6c(Oc7ccc(CCOCCOC(=O)C=C)cc7)cc7c8c(cc(Oc9ccc(CCOCCOC(=O)C=C)cc9)c(c2c45)c86)C(=O)N(C(C(=O)Nc2ccncc2)C(C)CC)C7=O)C(=O)N(C(C(=O)Nc2ccncc2)C(C)CC)C3=O)cc1
InChIInChI=1S/C98H94N6O22.C94H91F9N4O22.C90H90N6O14.C84H73F9N6O14/c1-9-59(7)91(93(109)101-65-31-39-99-40-32-65)103-95(111)71-55-75(123-67-23-15-61(16-24-67)35-43-115-47-51-119-79(105)11-3)85-87-77(125-69-27-19-63(20-28-69)37-45-117-49-53-121-81(107)13-5)57-73-84-74(98(114)104(97(73)113)92(60(8)10-2)94(110)102-66-33-41-100-42-34-66)58-78(126-70-29-21-64(22-30-70)38-46-118-50-54-122-82(108)14-6)88(90(84)87)86-76(56-72(96(103)112)83(71)89(85)86)124-68-25-17-62(18-26-68)36-44-116-48-52-120-80(106)12-4;1-10-52(7)83(85(112)104-54(9)92(95,96)97)106-87(114)63-48-67(126-59-24-16-55(17-25-59)32-36-118-40-44-122-71(108)12-3)77-79-69(128-61-28-20-57(21-29-61)34-38-120-42-46-124-73(110)14-5)50-65-76-66(90(117)107(89(65)116)84(53(8)11-2)86(113)105-91(93(98,99)100)94(101,102)103)51-70(129-62-30-22-58(23-31-62)35-39-121-43-47-125-74(111)15-6)80(82(76)79)78-68(49-64(88(106)115)75(63)81(77)78)127-60-26-18-56(19-27-60)33-37-119-41-45-123-72(109)13-4;1-51(2)69(97)23-15-17-55-25-33-61(34-26-55)107-71-45-65-77-66(88(104)95(87(65)103)49-75(99)93-59-19-11-9-12-20-59)46-72(108-62-35-27-56(28-36-62)18-16-24-70(98)52(3)4)80-82-74(110-64-39-31-58(32-40-64)42-44-92-86(102)54(7)8)48-68-78-67(89(105)96(90(68)106)50-76(100)94-60-21-13-10-14-22-60)47-73(81(84(78)82)79(71)83(77)80)109-63-37-29-57(30-38-63)41-43-91-85(101)53(5)6;1-42(2)59(100)14-10-12-47-16-24-51(25-17-47)110-61-38-57-68-58(80(109)99(79(57)108)41-66(103)97-81(83(88,89)90)84(91,92)93)39-62(111-52-26-18-48(19-27-52)13-11-15-60(101)43(3)4)70-72-64(113-54-30-22-50(23-31-54)33-35-95-76(105)45(7)8)37-56-67-55(77(106)98(78(56)107)40-65(102)96-46(9)82(85,86)87)36-63(71(73(67)72)69(61)74(68)70)112-53-28-20-49(21-29-53)32-34-94-75(104)44(5)6/h11-34,39-42,55-60,91-92H,3-6,9-10,35-38,43-54H2,1-2,7-8H3,(H,99,101,109)(H,100,102,110);12-31,48-54,83-84,91H,3-6,10-11,32-47H2,1-2,7-9H3,(H,104,112)(H,105,113);25-40,45-48,59-60H,1,3,5,7,9-24,41-44,49-50H2,2,4,6,8H3,(H,91,101)(H,92,102)(H,93,99)(H,94,100);16-31,36-39,46,81H,1,3,5,7,10-15,32-35,40-41H2,2,4,6,8-9H3,(H,94,104)(H,95,105)(H,96,102)(H,97,103)
InChIKeyIGRPQESYXQGVDN-UHFFFAOYSA-N
MW6548.86 g/mol
LogP65.49
Rot. Bonds156

About N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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

N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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 (PubChem CID 167589677) has the molecular formula C366H348F18N22O72 and a molecular weight of 6548.86 g/mol. Its IUPAC name is N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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.

Molecular Properties

Compound NameN-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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
PubChem CID167589677
Molecular FormulaC366H348F18N22O72
Molecular Weight6548.86 g/mol
Exact Mass6544.40
IUPAC NameN-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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
SMILESC=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)NC(C)C(F)(F)F)C7=O)C(=O)N(CC(=O)NC(C(F)(F)F)C(F)(F)F)C3=O)cc1.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)NC2CCCCC2)C7=O)C(=O)N(CC(=O)NC2CCCCC2)C3=O)cc1.C=CC(=O)OCCOCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCOCCOC(=O)C=C)cc5)c5c6c(Oc7ccc(CCOCCOC(=O)C=C)cc7)cc7c8c(cc(Oc9ccc(CCOCCOC(=O)C=C)cc9)c(c2c45)c86)C(=O)N(C(C(=O)NC(C(F)(F)F)C(F)(F)F)C(C)CC)C7=O)C(=O)N(C(C(=O)NC(C)C(F)(F)F)C(C)CC)C3=O)cc1.C=CC(=O)OCCOCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCOCCOC(=O)C=C)cc5)c5c6c(Oc7ccc(CCOCCOC(=O)C=C)cc7)cc7c8c(cc(Oc9ccc(CCOCCOC(=O)C=C)cc9)c(c2c45)c86)C(=O)N(C(C(=O)Nc2ccncc2)C(C)CC)C7=O)C(=O)N(C(C(=O)Nc2ccncc2)C(C)CC)C3=O)cc1
InChIInChI=1S/C98H94N6O22.C94H91F9N4O22.C90H90N6O14.C84H73F9N6O14/c1-9-59(7)91(93(109)101-65-31-39-99-40-32-65)103-95(111)71-55-75(123-67-23-15-61(16-24-67)35-43-115-47-51-119-79(105)11-3)85-87-77(125-69-27-19-63(20-28-69)37-45-117-49-53-121-81(107)13-5)57-73-84-74(98(114)104(97(73)113)92(60(8)10-2)94(110)102-66-33-41-100-42-34-66)58-78(126-70-29-21-64(22-30-70)38-46-118-50-54-122-82(108)14-6)88(90(84)87)86-76(56-72(96(103)112)83(71)89(85)86)124-68-25-17-62(18-26-68)36-44-116-48-52-120-80(106)12-4;1-10-52(7)83(85(112)104-54(9)92(95,96)97)106-87(114)63-48-67(126-59-24-16-55(17-25-59)32-36-118-40-44-122-71(108)12-3)77-79-69(128-61-28-20-57(21-29-61)34-38-120-42-46-124-73(110)14-5)50-65-76-66(90(117)107(89(65)116)84(53(8)11-2)86(113)105-91(93(98,99)100)94(101,102)103)51-70(129-62-30-22-58(23-31-62)35-39-121-43-47-125-74(111)15-6)80(82(76)79)78-68(49-64(88(106)115)75(63)81(77)78)127-60-26-18-56(19-27-60)33-37-119-41-45-123-72(109)13-4;1-51(2)69(97)23-15-17-55-25-33-61(34-26-55)107-71-45-65-77-66(88(104)95(87(65)103)49-75(99)93-59-19-11-9-12-20-59)46-72(108-62-35-27-56(28-36-62)18-16-24-70(98)52(3)4)80-82-74(110-64-39-31-58(32-40-64)42-44-92-86(102)54(7)8)48-68-78-67(89(105)96(90(68)106)50-76(100)94-60-21-13-10-14-22-60)47-73(81(84(78)82)79(71)83(77)80)109-63-37-29-57(30-38-63)41-43-91-85(101)53(5)6;1-42(2)59(100)14-10-12-47-16-24-51(25-17-47)110-61-38-57-68-58(80(109)99(79(57)108)41-66(103)97-81(83(88,89)90)84(91,92)93)39-62(111-52-26-18-48(19-27-52)13-11-15-60(101)43(3)4)70-72-64(113-54-30-22-50(23-31-54)33-35-95-76(105)45(7)8)37-56-67-55(77(106)98(78(56)107)40-65(102)96-46(9)82(85,86)87)36-63(71(73(67)72)69(61)74(68)70)112-53-28-20-49(21-29-53)32-34-94-75(104)44(5)6/h11-34,39-42,55-60,91-92H,3-6,9-10,35-38,43-54H2,1-2,7-8H3,(H,99,101,109)(H,100,102,110);12-31,48-54,83-84,91H,3-6,10-11,32-47H2,1-2,7-9H3,(H,104,112)(H,105,113);25-40,45-48,59-60H,1,3,5,7,9-24,41-44,49-50H2,2,4,6,8H3,(H,91,101)(H,92,102)(H,93,99)(H,94,100);16-31,36-39,46,81H,1,3,5,7,10-15,32-35,40-41H2,2,4,6,8-9H3,(H,94,104)(H,95,105)(H,96,102)(H,97,103)
InChIKeyIGRPQESYXQGVDN-UHFFFAOYSA-N
XLogP65.49
TPSA1174.22 Ų
H-Bond Donors12
H-Bond Acceptors74
Rotatable Bonds156
Heavy Atoms478
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006548.86
LogP ≤ 565.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1074

Analyze N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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?
The IUPAC name of N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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 (CID 167589677) is N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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.
What is the SMILES notation for N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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?
The canonical SMILES for N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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 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)NC(C)C(F)(F)F)C7=O)C(=O)N(CC(=O)NC(C(F)(F)F)C(F)(F)F)C3=O)cc1.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)NC2CCCCC2)C7=O)C(=O)N(CC(=O)NC2CCCCC2)C3=O)cc1.C=CC(=O)OCCOCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCOCCOC(=O)C=C)cc5)c5c6c(Oc7ccc(CCOCCOC(=O)C=C)cc7)cc7c8c(cc(Oc9ccc(CCOCCOC(=O)C=C)cc9)c(c2c45)c86)C(=O)N(C(C(=O)NC(C(F)(F)F)C(F)(F)F)C(C)CC)C7=O)C(=O)N(C(C(=O)NC(C)C(F)(F)F)C(C)CC)C3=O)cc1.C=CC(=O)OCCOCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCOCCOC(=O)C=C)cc5)c5c6c(Oc7ccc(CCOCCOC(=O)C=C)cc7)cc7c8c(cc(Oc9ccc(CCOCCOC(=O)C=C)cc9)c(c2c45)c86)C(=O)N(C(C(=O)Nc2ccncc2)C(C)CC)C7=O)C(=O)N(C(C(=O)Nc2ccncc2)C(C)CC)C3=O)cc1.
What is the InChIKey of N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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?
The InChIKey is IGRPQESYXQGVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H94N6O22.C94H91F9N4O22.C90H90N6O14.C84H73F9N6O14/c1-9-59(7)91(93(109)101-65-31-39-99-40-32-65)103-95(111)71-55-75(123-67-23-15-61(16-24-67)35-43-115-47-51-119-79(105)11-3)85-87-77(125-69-27-19-63(20-28-69)37-45-117-49-53-121-81(107)13-5)57-73-84-74(98(114)104(97(73)113)92(60(8)10-2)94(110)102-66-33-41-100-42-34-66)58-78(126-70-29-21-64(22-30-70)38-46-118-50-54-122-82(108)14-6)88(90(84)87)86-76(56-72(96(103)112)83(71)89(85)86)124-68-25-17-62(18-26-68)36-44-116-48-52-120-80(106)12-4;1-10-52(7)83(85(112)104-54(9)92(95,96)97)106-87(114)63-48-67(126-59-24-16-55(17-25-59)32-36-118-40-44-122-71(108)12-3)77-79-69(128-61-28-20-57(21-29-61)34-38-120-42-46-124-73(110)14-5)50-65-76-66(90(117)107(89(65)116)84(53(8)11-2)86(113)105-91(93(98,99)100)94(101,102)103)51-70(129-62-30-22-58(23-31-62)35-39-121-43-47-125-74(111)15-6)80(82(76)79)78-68(49-64(88(106)115)75(63)81(77)78)127-60-26-18-56(19-27-60)33-37-119-41-45-123-72(109)13-4;1-51(2)69(97)23-15-17-55-25-33-61(34-26-55)107-71-45-65-77-66(88(104)95(87(65)103)49-75(99)93-59-19-11-9-12-20-59)46-72(108-62-35-27-56(28-36-62)18-16-24-70(98)52(3)4)80-82-74(110-64-39-31-58(32-40-64)42-44-92-86(102)54(7)8)48-68-78-67(89(105)96(90(68)106)50-76(100)94-60-21-13-10-14-22-60)47-73(81(84(78)82)79(71)83(77)80)109-63-37-29-57(30-38-63)41-43-91-85(101)53(5)6;1-42(2)59(100)14-10-12-47-16-24-51(25-17-47)110-61-38-57-68-58(80(109)99(79(57)108)41-66(103)97-81(83(88,89)90)84(91,92)93)39-62(111-52-26-18-48(19-27-52)13-11-15-60(101)43(3)4)70-72-64(113-54-30-22-50(23-31-54)33-35-95-76(105)45(7)8)37-56-67-55(77(106)98(78(56)107)40-65(102)96-46(9)82(85,86)87)36-63(71(73(67)72)69(61)74(68)70)112-53-28-20-49(21-29-53)32-34-94-75(104)44(5)6/h11-34,39-42,55-60,91-92H,3-6,9-10,35-38,43-54H2,1-2,7-8H3,(H,99,101,109)(H,100,102,110);12-31,48-54,83-84,91H,3-6,10-11,32-47H2,1-2,7-9H3,(H,104,112)(H,105,113);25-40,45-48,59-60H,1,3,5,7,9-24,41-44,49-50H2,2,4,6,8H3,(H,91,101)(H,92,102)(H,93,99)(H,94,100);16-31,36-39,46,81H,1,3,5,7,10-15,32-35,40-41H2,2,4,6,8-9H3,(H,94,104)(H,95,105)(H,96,102)(H,97,103).
What are the key properties of N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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?
N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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 has a molecular weight of 6548.86 g/mol, XLogP of 65.49, 156 rotatable bonds, 12 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[7,18-bis[2-(cyclohexylamino)-2-oxoethyl]-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-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-[2-[4-[[7,18-bis[3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;2-[2-[4-[[18-[1-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]-7-[3-methyl-1-oxo-1-(1,1,1-trifluoropropan-2-ylamino)pentan-2-yl]-6,8,17,19-tetraoxo-14,22,26-tris[4-[2-(2-prop-2-enoyloxyethoxy)ethyl]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]phenyl]ethoxy]ethyl prop-2-enoate;N-[2-[4-[[18-[2-(1,1,1,3,3,3-hexafluoropropan-2-ylamino)-2-oxoethyl]-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-[2-oxo-2-(1,1,1-trifluoropropan-2-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 is sourced from PubChem (CID 167589677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).