[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide

C309H421F6N27O74 — CID 161342569

About [4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide

[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide (PubChem CID 161342569) has the molecular formula C309H421F6N27O74 and a molecular weight of 5811.87 g/mol. Its IUPAC name is [4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide.

Molecular Properties

• Compound Name: [4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide
• PubChem CID: 161342569
• Molecular Formula: C309H421F6N27O74
• Molecular Weight: 5811.87 g/mol
• Exact Mass: 5807.99
• IUPAC Name: [4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide
• SMILES: CCCCOCCOCCOCCn1nnc2c1-c1ccccc1C(C(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)C[C@@H](C)C(=O)Nc1ccc(OCC(=O)[C@@]34OC(CCC)O[C@@H]3C[C@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]34C)cc1OC)C(C)C)Cc1ccccc1-2.CCCCOCCOCCOCCn1nnc2c1-c1ccccc1CN(C(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)CCC(=O)[C@@]34OC(CCC)O[C@@H]3C[C@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]34C)cc1)C(C)C)c1ccccc1-2.CCCCOCCOCCOCCn1nnc2c1-c1ccccc1N(C(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)CCC(=O)[C@@]34OC(CCC)O[C@@H]3C[C@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]34C)cc1)C(C)C)Cc1ccccc1-2.CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@H]5[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COc2ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCN3C(=O)CC(C)C3=O)C(C)C)cc2)O1
• InChI: InChI=1S/2C86H117F2N9O20.C82H110F2N6O19.C55H77N3O15/c1-7-9-35-108-39-43-112-46-42-111-38-34-97-80-62-18-11-10-16-59(62)54-96(68-20-13-12-19-63(68)79(80)94-95-97)75(104)27-26-73(102)90-33-37-110-41-45-114-48-47-113-44-40-109-36-30-74(103)93-78(56(3)4)69(99)49-58(17-14-32-91-82(89)107)81(106)92-60-23-21-57(22-24-60)55-115-76(105)28-25-70(100)86-72(116-77(117-86)15-8-2)52-64-65-51-67(87)66-50-61(98)29-31-83(66,5)85(65,88)71(101)53-84(64,86)6;1-7-9-35-108-39-43-112-46-42-111-38-34-97-80-63-19-12-13-20-68(63)96(54-59-16-10-11-18-62(59)79(80)94-95-97)75(104)27-26-73(102)90-33-37-110-41-45-114-48-47-113-44-40-109-36-30-74(103)93-78(56(3)4)69(99)49-58(17-14-32-91-82(89)107)81(106)92-60-23-21-57(22-24-60)55-115-76(105)28-25-70(100)86-72(116-77(117-86)15-8-2)52-64-65-51-67(87)66-50-61(98)29-31-83(66,5)85(65,88)71(101)53-84(64,86)6;1-9-11-30-100-34-38-104-41-37-103-33-29-90-77-59-20-15-14-19-58(59)60(45-54-17-12-13-18-57(54)76(77)88-89-90)66(92)23-24-72(96)85-28-32-102-36-40-106-43-42-105-39-35-101-31-26-73(97)87-75(52(3)4)67(93)44-53(5)78(98)86-65-22-21-56(47-68(65)99-8)107-51-70(95)82-71(108-74(109-82)16-10-2)49-61-62-48-64(83)63-46-55(91)25-27-79(63,6)81(62,84)69(94)50-80(61,82)7;1-7-8-49-72-46-30-42-41-15-9-36-29-38(59)12-16-40(36)50(41)44(61)31-54(42,6)55(46,73-49)45(62)32-71-39-13-10-37(11-14-39)56-52(65)34(4)27-43(60)51(33(2)3)57-47(63)17-19-67-21-23-69-25-26-70-24-22-68-20-18-58-48(64)28-35(5)53(58)66/h2*10-13,16,18-24,29,31,50,56,58,64-65,67,71-72,77-78,101H,7-9,14-15,17,25-28,30,32-49,51-55H2,1-6H3,(H,90,102)(H,92,106)(H,93,103)(H3,89,91,107);12-15,17-22,25,27,46-47,52-53,60-62,64,69,71,74-75,94H,9-11,16,23-24,26,28-45,48-51H2,1-8H3,(H,85,96)(H,86,98)(H,87,97);10-14,16,29,33-35,40-42,44,46,49-51,61H,7-9,15,17-28,30-32H2,1-6H3,(H,56,65)(H,57,63)/t2*58-,64+,65+,67+,71+,72-,77?,78+,83+,84+,85+,86-;53-,60?,61+,62+,64+,69+,71-,74?,75+,79+,80+,81+,82-;34-,35?,40+,41+,42+,44+,46-,49-,50-,51+,54+,55-/m1111/s1
• InChIKey: VMWFUELCNAHWNP-MKFQJDTLSA-N
• XLogP: 32.64
• TPSA: 1288.18 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 83
• Rotatable Bonds: 171
• Heavy Atoms: 416
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5811.87
LogP ≤ 5	32.64
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	83

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide?

The IUPAC name of [4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide (CID 161342569) is [4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide.

What is the SMILES notation for [4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide?

The canonical SMILES for [4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide is CCCCOCCOCCOCCn1nnc2c1-c1ccccc1C(C(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)C[C@@H](C)C(=O)Nc1ccc(OCC(=O)[C@@]34OC(CCC)O[C@@H]3C[C@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]34C)cc1OC)C(C)C)Cc1ccccc1-2.CCCCOCCOCCOCCn1nnc2c1-c1ccccc1CN(C(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)CCC(=O)[C@@]34OC(CCC)O[C@@H]3C[C@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]34C)cc1)C(C)C)c1ccccc1-2.CCCCOCCOCCOCCn1nnc2c1-c1ccccc1N(C(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)CCC(=O)[C@@]34OC(CCC)O[C@@H]3C[C@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]34C)cc1)C(C)C)Cc1ccccc1-2.CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@H]5[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COc2ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCN3C(=O)CC(C)C3=O)C(C)C)cc2)O1.

What is the InChIKey of [4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide?

The InChIKey is VMWFUELCNAHWNP-MKFQJDTLSA-N. The full InChI is InChI=1S/2C86H117F2N9O20.C82H110F2N6O19.C55H77N3O15/c1-7-9-35-108-39-43-112-46-42-111-38-34-97-80-62-18-11-10-16-59(62)54-96(68-20-13-12-19-63(68)79(80)94-95-97)75(104)27-26-73(102)90-33-37-110-41-45-114-48-47-113-44-40-109-36-30-74(103)93-78(56(3)4)69(99)49-58(17-14-32-91-82(89)107)81(106)92-60-23-21-57(22-24-60)55-115-76(105)28-25-70(100)86-72(116-77(117-86)15-8-2)52-64-65-51-67(87)66-50-61(98)29-31-83(66,5)85(65,88)71(101)53-84(64,86)6;1-7-9-35-108-39-43-112-46-42-111-38-34-97-80-63-19-12-13-20-68(63)96(54-59-16-10-11-18-62(59)79(80)94-95-97)75(104)27-26-73(102)90-33-37-110-41-45-114-48-47-113-44-40-109-36-30-74(103)93-78(56(3)4)69(99)49-58(17-14-32-91-82(89)107)81(106)92-60-23-21-57(22-24-60)55-115-76(105)28-25-70(100)86-72(116-77(117-86)15-8-2)52-64-65-51-67(87)66-50-61(98)29-31-83(66,5)85(65,88)71(101)53-84(64,86)6;1-9-11-30-100-34-38-104-41-37-103-33-29-90-77-59-20-15-14-19-58(59)60(45-54-17-12-13-18-57(54)76(77)88-89-90)66(92)23-24-72(96)85-28-32-102-36-40-106-43-42-105-39-35-101-31-26-73(97)87-75(52(3)4)67(93)44-53(5)78(98)86-65-22-21-56(47-68(65)99-8)107-51-70(95)82-71(108-74(109-82)16-10-2)49-61-62-48-64(83)63-46-55(91)25-27-79(63,6)81(62,84)69(94)50-80(61,82)7;1-7-8-49-72-46-30-42-41-15-9-36-29-38(59)12-16-40(36)50(41)44(61)31-54(42,6)55(46,73-49)45(62)32-71-39-13-10-37(11-14-39)56-52(65)34(4)27-43(60)51(33(2)3)57-47(63)17-19-67-21-23-69-25-26-70-24-22-68-20-18-58-48(64)28-35(5)53(58)66/h2*10-13,16,18-24,29,31,50,56,58,64-65,67,71-72,77-78,101H,7-9,14-15,17,25-28,30,32-49,51-55H2,1-6H3,(H,90,102)(H,92,106)(H,93,103)(H3,89,91,107);12-15,17-22,25,27,46-47,52-53,60-62,64,69,71,74-75,94H,9-11,16,23-24,26,28-45,48-51H2,1-8H3,(H,85,96)(H,86,98)(H,87,97);10-14,16,29,33-35,40-42,44,46,49-51,61H,7-9,15,17-28,30-32H2,1-6H3,(H,56,65)(H,57,63)/t2*58-,64+,65+,67+,71+,72-,77?,78+,83+,84+,85+,86-;53-,60?,61+,62+,64+,69+,71-,74?,75+,79+,80+,81+,82-;34-,35?,40+,41+,42+,44+,46-,49-,50-,51+,54+,55-/m1111/s1.

What are the key properties of [4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide?

[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide has a molecular weight of 5811.87 g/mol, XLogP of 32.64, 171 rotatable bonds, 19 hydrogen bond donors, and 83 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 4-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-4-oxobutanoate;(2R,5S)-5-[3-[2-[2-[2-[2-[[4-[5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-N-[4-[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]-2-methoxyphenyl]-2,6-dimethyl-4-oxoheptanamide;(2R,5S)-N-[4-[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-9-methyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]phenyl]-2,6-dimethyl-5-[3-[2-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxoheptanamide is sourced from PubChem (CID 161342569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).