methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate)

C250H310N20O47 — CID 158628651

About methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate)

methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate) (PubChem CID 158628651) has the molecular formula C250H310N20O47 and a molecular weight of 4347.32 g/mol. Its IUPAC name is methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate).

Molecular Properties

• Compound Name: methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate)
• PubChem CID: 158628651
• Molecular Formula: C250H310N20O47
• Molecular Weight: 4347.32 g/mol
• Exact Mass: 4344.25
• IUPAC Name: methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate)
• SMILES: CCCC1CC2CN3CCc4c([nH]c5ccc(O)cc45)C(C(=O)OC)(C2)C13.CCCC1CC2CN3CCc4c([nH]c5ccc(O)cc45)C(C(=O)OC)(C2)C13.CCCC1CC2CN3CCc4c([nH]c5ccc(OC(C)=O)cc45)C(C(=O)OC)(C2)C13.CCCC1CC2CN3CCc4c([nH]c5ccc(OC(C)=O)cc45)C(C(=O)OC)(C2)C13.COC(=O)C12CC3CC(CCOC(C)=O)C1N(CCc1c2[nH]c2ccc(O)cc12)C3.COC(=O)C12CC3CC(CCOC(C)=O)C1N(CCc1c2[nH]c2ccc(OC(C)=O)cc12)C3.COC(=O)C12CC3CC(CCOCc4ccccc4)C1N(CCc1c2[nH]c2ccc(O)cc12)C3.COC(=O)C12CC3CC(CCOCc4ccccc4)C1N(CCc1c2[nH]c2ccc(OC(C)=O)cc12)C3.COCCOCOCCC1CC2CN3CCc4c([nH]c5ccc(O)cc45)C(C(=O)OC)(C2)C13.COCCOCOCCC1CC2CN3CCc4c([nH]c5ccc(OC(C)=O)cc45)C(C(=O)OC)(C2)C13
• InChI: InChI=1S/C30H34N2O5.C28H32N2O4.C27H36N2O7.C25H30N2O6.C25H34N2O6.2C24H30N2O4.C23H28N2O5.2C22H28N2O3/c1-19(33)37-23-8-9-26-25(15-23)24-10-12-32-17-21-14-22(11-13-36-18-20-6-4-3-5-7-20)28(32)30(16-21,27(24)31-26)29(34)35-2;1-33-27(32)28-15-19-13-20(10-12-34-17-18-5-3-2-4-6-18)26(28)30(16-19)11-9-22-23-14-21(31)7-8-24(23)29-25(22)28;1-17(30)36-20-4-5-23-22(13-20)21-6-8-29-15-18-12-19(7-9-34-16-35-11-10-32-2)25(29)27(14-18,24(21)28-23)26(31)33-3;1-14(28)32-9-7-17-10-16-12-25(24(30)31-3)22-19(6-8-27(13-16)23(17)25)20-11-18(33-15(2)29)4-5-21(20)26-22;1-30-9-10-33-15-32-8-6-17-11-16-13-25(24(29)31-2)22-19(5-7-27(14-16)23(17)25)20-12-18(28)3-4-21(20)26-22;2*1-4-5-16-10-15-12-24(23(28)29-3)21-18(8-9-26(13-15)22(16)24)19-11-17(30-14(2)27)6-7-20(19)25-21;1-13(26)30-8-6-15-9-14-11-23(22(28)29-2)20-17(5-7-25(12-14)21(15)23)18-10-16(27)3-4-19(18)24-20;2*1-3-4-14-9-13-11-22(21(26)27-2)19-16(7-8-24(12-13)20(14)22)17-10-15(25)5-6-18(17)23-19/h3-9,15,21-22,28,31H,10-14,16-18H2,1-2H3;2-8,14,19-20,26,29,31H,9-13,15-17H2,1H3;4-5,13,18-19,25,28H,6-12,14-16H2,1-3H3;4-5,11,16-17,23,26H,6-10,12-13H2,1-3H3;3-4,12,16-17,23,26,28H,5-11,13-15H2,1-2H3;2*6-7,11,15-16,22,25H,4-5,8-10,12-13H2,1-3H3;3-4,10,14-15,21,24,27H,5-9,11-12H2,1-2H3;2*5-6,10,13-14,20,23,25H,3-4,7-9,11-12H2,1-2H3
• InChIKey: HYXLPEFXFWLJDN-UHFFFAOYSA-N
• XLogP: 32.98
• TPSA: 812.39 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 57
• Rotatable Bonds: 55
• Heavy Atoms: 317
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4347.32
LogP ≤ 5	32.98
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate)?

The IUPAC name of methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate) (CID 158628651) is methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate).

What is the SMILES notation for methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate)?

The canonical SMILES for methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate) is CCCC1CC2CN3CCc4c([nH]c5ccc(O)cc45)C(C(=O)OC)(C2)C13.CCCC1CC2CN3CCc4c([nH]c5ccc(O)cc45)C(C(=O)OC)(C2)C13.CCCC1CC2CN3CCc4c([nH]c5ccc(OC(C)=O)cc45)C(C(=O)OC)(C2)C13.CCCC1CC2CN3CCc4c([nH]c5ccc(OC(C)=O)cc45)C(C(=O)OC)(C2)C13.COC(=O)C12CC3CC(CCOC(C)=O)C1N(CCc1c2[nH]c2ccc(O)cc12)C3.COC(=O)C12CC3CC(CCOC(C)=O)C1N(CCc1c2[nH]c2ccc(OC(C)=O)cc12)C3.COC(=O)C12CC3CC(CCOCc4ccccc4)C1N(CCc1c2[nH]c2ccc(O)cc12)C3.COC(=O)C12CC3CC(CCOCc4ccccc4)C1N(CCc1c2[nH]c2ccc(OC(C)=O)cc12)C3.COCCOCOCCC1CC2CN3CCc4c([nH]c5ccc(O)cc45)C(C(=O)OC)(C2)C13.COCCOCOCCC1CC2CN3CCc4c([nH]c5ccc(OC(C)=O)cc45)C(C(=O)OC)(C2)C13.

What is the InChIKey of methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate)?

The InChIKey is HYXLPEFXFWLJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O5.C28H32N2O4.C27H36N2O7.C25H30N2O6.C25H34N2O6.2C24H30N2O4.C23H28N2O5.2C22H28N2O3/c1-19(33)37-23-8-9-26-25(15-23)24-10-12-32-17-21-14-22(11-13-36-18-20-6-4-3-5-7-20)28(32)30(16-21,27(24)31-26)29(34)35-2;1-33-27(32)28-15-19-13-20(10-12-34-17-18-5-3-2-4-6-18)26(28)30(16-19)11-9-22-23-14-21(31)7-8-24(23)29-25(22)28;1-17(30)36-20-4-5-23-22(13-20)21-6-8-29-15-18-12-19(7-9-34-16-35-11-10-32-2)25(29)27(14-18,24(21)28-23)26(31)33-3;1-14(28)32-9-7-17-10-16-12-25(24(30)31-3)22-19(6-8-27(13-16)23(17)25)20-11-18(33-15(2)29)4-5-21(20)26-22;1-30-9-10-33-15-32-8-6-17-11-16-13-25(24(29)31-2)22-19(5-7-27(14-16)23(17)25)20-12-18(28)3-4-21(20)26-22;2*1-4-5-16-10-15-12-24(23(28)29-3)21-18(8-9-26(13-15)22(16)24)19-11-17(30-14(2)27)6-7-20(19)25-21;1-13(26)30-8-6-15-9-14-11-23(22(28)29-2)20-17(5-7-25(12-14)21(15)23)18-10-16(27)3-4-19(18)24-20;2*1-3-4-14-9-13-11-22(21(26)27-2)19-16(7-8-24(12-13)20(14)22)17-10-15(25)5-6-18(17)23-19/h3-9,15,21-22,28,31H,10-14,16-18H2,1-2H3;2-8,14,19-20,26,29,31H,9-13,15-17H2,1H3;4-5,13,18-19,25,28H,6-12,14-16H2,1-3H3;4-5,11,16-17,23,26H,6-10,12-13H2,1-3H3;3-4,12,16-17,23,26,28H,5-11,13-15H2,1-2H3;2*6-7,11,15-16,22,25H,4-5,8-10,12-13H2,1-3H3;3-4,10,14-15,21,24,27H,5-9,11-12H2,1-2H3;2*5-6,10,13-14,20,23,25H,3-4,7-9,11-12H2,1-2H3.

What are the key properties of methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate)?

methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate) has a molecular weight of 4347.32 g/mol, XLogP of 32.98, 55 rotatable bonds, 15 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 7-acetyloxy-17-(2-acetyloxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 17-(2-acetyloxyethyl)-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-acetyloxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-acetyloxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate);methyl 7-hydroxy-17-[2-(2-methoxyethoxymethoxy)ethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;methyl 7-hydroxy-17-(2-phenylmethoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate;bis(methyl 7-hydroxy-17-propyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate) is sourced from PubChem (CID 158628651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).