2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium

C287H450F6N45O72P+2 — CID 159584490

About 2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium

2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium (PubChem CID 159584490) has the molecular formula C287H450F6N45O72P+2 and a molecular weight of 5827.96 g/mol. Its IUPAC name is 2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium.

Molecular Properties

• Compound Name: 2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium
• PubChem CID: 159584490
• Molecular Formula: C287H450F6N45O72P+2
• Molecular Weight: 5827.96 g/mol
• Exact Mass: 5824.26
• IUPAC Name: 2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium
• SMILES: CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CNC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)COC2CCCCCC3=C2NNN3CCOCCOCCOCCOCCC(=O)NCC[N+](C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2Cc3ccccc3C3=C(NNN3C)c3ccccc32)C(C)C)O1.CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CNC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)COC2CCCCCC3=C2NNN3CCOCCOCCOCCOCCC(=O)NCC[N+](C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)COC2CCCCCC3=C2NNN3C)C(C)C)O1.CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CNC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)COC2CCCCCC3=C2NNN3CCOCCOCCOCCOCCOCCP(=O)(O)O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2Cc3ccccc3C3=C(NNN3C)c3ccccc32)C(C)C)O1
• InChI: InChI=1S/C100H152F2N16O23.C96H145F2N14O26P.C91H151F2N15O23/c1-10-21-89-140-83-61-72-73-60-75(101)74-59-69(119)32-35-97(74,4)99(73,102)81(121)62-98(72,5)100(83,141-89)82(122)63-108-94(128)67(23-20-37-107-96(103)130)58-79(120)90(66(2)3)110-95(129)76(26-18-19-36-104-87(126)65-139-80-29-13-11-12-28-78-92(80)112-114-117(78)40-45-134-49-53-138-57-55-135-50-46-131-42-33-85(124)105-38-41-118(7,8)9)109-86(125)34-43-132-47-51-136-54-56-137-52-48-133-44-39-106-84(123)30-31-88(127)116-64-68-22-14-15-24-70(68)93-91(111-113-115(93)6)71-25-16-17-27-77(71)116;1-7-18-85-137-80-58-69-70-57-72(97)71-56-66(113)29-31-93(71,4)95(70,98)78(115)59-94(69,5)96(80,138-85)79(116)60-103-90(121)64(20-17-33-102-92(99)123)55-76(114)86(63(2)3)105-91(122)73(23-15-16-32-100-83(119)62-136-77-26-10-8-9-25-75-88(77)107-109-112(75)35-38-129-41-44-132-47-48-133-49-50-134-51-52-135-53-54-139(124,125)126)104-82(118)30-36-127-39-42-130-45-46-131-43-40-128-37-34-101-81(117)27-28-84(120)111-61-65-19-11-12-21-67(65)89-87(106-108-110(89)6)68-22-13-14-24-74(68)111;1-10-20-81-130-76-56-64-65-55-67(92)66-54-63(109)27-30-88(66,4)90(65,93)74(111)57-89(64,5)91(76,131-81)75(112)58-99-85(117)62(21-19-32-98-87(94)119)53-71(110)82(61(2)3)101-86(118)68(100-78(114)29-38-121-42-46-125-49-51-126-47-43-122-39-34-97-80(116)60-128-72-25-15-11-13-23-69-83(72)102-104-106(69)6)22-17-18-31-95-79(115)59-129-73-26-16-12-14-24-70-84(73)103-105-107(70)35-40-123-44-48-127-52-50-124-45-41-120-37-28-77(113)96-33-36-108(7,8)9/h14-17,22,24-25,27,32,35,59,66-67,72-73,75-76,80-81,83,89-90,111-114,121H,10-13,18-21,23,26,28-31,33-34,36-58,60-65H2,1-9H3,(H8-,103,104,105,106,107,108,109,110,123,124,125,126,128,129,130);11-14,19,21-22,24,29,31,56,63-64,69-70,72-73,77-78,80,85-86,106-109,115H,7-10,15-18,20,23,25-28,30,32-55,57-62H2,1-6H3,(H,100,119)(H,101,117)(H,103,121)(H,104,118)(H,105,122)(H3,99,102,123)(H2,124,125,126);27,30,54,61-62,64-65,67-68,72-74,76,81-82,102-105,111H,10-26,28-29,31-53,55-60H2,1-9H3,(H8-,94,95,96,97,98,99,100,101,113,114,115,116,117,118,119)/p+2/t67-,72+,73+,75+,76-,80?,81+,83-,89?,90+,97+,98+,99+,100-;64-,69+,70+,72+,73-,77?,78+,80-,85?,86+,93+,94+,95+,96-;62-,64+,65+,67+,68-,72?,73?,74+,76-,81?,82+,88+,89+,90+,91-/m111/s1
• InChIKey: BOFGWALSLIWKFD-NTDRQBQHSA-P
• XLogP: 12.37
• TPSA: 1459.38 Ų
• H-Bond Donors: 40
• H-Bond Acceptors: 88
• Rotatable Bonds: 183
• Heavy Atoms: 411
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5827.96
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	40
H-Bond Acceptors ≤ 10	88

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium?

The IUPAC name of 2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium (CID 159584490) is 2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium.

What is the SMILES notation for 2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium?

The canonical SMILES for 2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium is CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CNC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)COC2CCCCCC3=C2NNN3CCOCCOCCOCCOCCC(=O)NCC[N+](C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2Cc3ccccc3C3=C(NNN3C)c3ccccc32)C(C)C)O1.CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CNC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)COC2CCCCCC3=C2NNN3CCOCCOCCOCCOCCC(=O)NCC[N+](C)(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)COC2CCCCCC3=C2NNN3C)C(C)C)O1.CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CNC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)COC2CCCCCC3=C2NNN3CCOCCOCCOCCOCCOCCP(=O)(O)O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2Cc3ccccc3C3=C(NNN3C)c3ccccc32)C(C)C)O1.

What is the InChIKey of 2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium?

The InChIKey is BOFGWALSLIWKFD-NTDRQBQHSA-P. The full InChI is InChI=1S/C100H152F2N16O23.C96H145F2N14O26P.C91H151F2N15O23/c1-10-21-89-140-83-61-72-73-60-75(101)74-59-69(119)32-35-97(74,4)99(73,102)81(121)62-98(72,5)100(83,141-89)82(122)63-108-94(128)67(23-20-37-107-96(103)130)58-79(120)90(66(2)3)110-95(129)76(26-18-19-36-104-87(126)65-139-80-29-13-11-12-28-78-92(80)112-114-117(78)40-45-134-49-53-138-57-55-135-50-46-131-42-33-85(124)105-38-41-118(7,8)9)109-86(125)34-43-132-47-51-136-54-56-137-52-48-133-44-39-106-84(123)30-31-88(127)116-64-68-22-14-15-24-70(68)93-91(111-113-115(93)6)71-25-16-17-27-77(71)116;1-7-18-85-137-80-58-69-70-57-72(97)71-56-66(113)29-31-93(71,4)95(70,98)78(115)59-94(69,5)96(80,138-85)79(116)60-103-90(121)64(20-17-33-102-92(99)123)55-76(114)86(63(2)3)105-91(122)73(23-15-16-32-100-83(119)62-136-77-26-10-8-9-25-75-88(77)107-109-112(75)35-38-129-41-44-132-47-48-133-49-50-134-51-52-135-53-54-139(124,125)126)104-82(118)30-36-127-39-42-130-45-46-131-43-40-128-37-34-101-81(117)27-28-84(120)111-61-65-19-11-12-21-67(65)89-87(106-108-110(89)6)68-22-13-14-24-74(68)111;1-10-20-81-130-76-56-64-65-55-67(92)66-54-63(109)27-30-88(66,4)90(65,93)74(111)57-89(64,5)91(76,131-81)75(112)58-99-85(117)62(21-19-32-98-87(94)119)53-71(110)82(61(2)3)101-86(118)68(100-78(114)29-38-121-42-46-125-49-51-126-47-43-122-39-34-97-80(116)60-128-72-25-15-11-13-23-69-83(72)102-104-106(69)6)22-17-18-31-95-79(115)59-129-73-26-16-12-14-24-70-84(73)103-105-107(70)35-40-123-44-48-127-52-50-124-45-41-120-37-28-77(113)96-33-36-108(7,8)9/h14-17,22,24-25,27,32,35,59,66-67,72-73,75-76,80-81,83,89-90,111-114,121H,10-13,18-21,23,26,28-31,33-34,36-58,60-65H2,1-9H3,(H8-,103,104,105,106,107,108,109,110,123,124,125,126,128,129,130);11-14,19,21-22,24,29,31,56,63-64,69-70,72-73,77-78,80,85-86,106-109,115H,7-10,15-18,20,23,25-28,30,32-55,57-62H2,1-6H3,(H,100,119)(H,101,117)(H,103,121)(H,104,118)(H,105,122)(H3,99,102,123)(H2,124,125,126);27,30,54,61-62,64-65,67-68,72-74,76,81-82,102-105,111H,10-26,28-29,31-53,55-60H2,1-9H3,(H8-,94,95,96,97,98,99,100,101,113,114,115,116,117,118,119)/p+2/t67-,72+,73+,75+,76-,80?,81+,83-,89?,90+,97+,98+,99+,100-;64-,69+,70+,72+,73-,77?,78+,80-,85?,86+,93+,94+,95+,96-;62-,64+,65+,67+,68-,72?,73?,74+,76-,81?,82+,88+,89+,90+,91-/m111/s1.

What are the key properties of 2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium?

2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium has a molecular weight of 5827.96 g/mol, XLogP of 12.37, 183 rotatable bonds, 40 hydrogen bond donors, and 88 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[2-[(1-methyl-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-4-yl)oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium;2-[2-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[4-[2-[[(5R)-6-[[(3S,6R)-9-(carbamoylamino)-6-[[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-oxoethyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-5-[3-[2-[2-[2-[2-[[4-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaen-13-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]amino]-2-oxoethoxy]-2,3,4,5,6,7,8,9-octahydrocycloocta[d]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl-trimethylazanium is sourced from PubChem (CID 159584490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).