tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

C149H177B2BrClN19O22 — CID 159482676

About tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate (PubChem CID 159482676) has the molecular formula C149H177B2BrClN19O22 and a molecular weight of 2723.15 g/mol. Its IUPAC name is tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
• PubChem CID: 159482676
• Molecular Formula: C149H177B2BrClN19O22
• Molecular Weight: 2723.15 g/mol
• Exact Mass: 2720.24
• IUPAC Name: tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2ccc3cc4c(cc3c2C1)OCc1cc(Cl)ccc1-4.CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2c([nH]1)CCc1cc3c(cc1-2)OCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-3.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(Br)[nH]1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c([nH]1)CCc1cc3c(cc1-2)OCc1cc(-c2cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]2)ccc1-3)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c([nH]1)CCc1cc3c(cc1-2)OCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-3)C(C)C
• InChI: InChI=1S/C41H49N7O6.C35H43BN4O6.C33H40BN3O5.C28H27ClN2O3.C12H18BrN3O2/c1-22(2)34(46-39(50)52-6)38(49)47-15-7-10-32(47)37-43-29-14-12-23-18-28-26-13-11-24(17-25(26)21-53-33(28)19-27(23)35(29)45-37)30-20-42-36(44-30)31-9-8-16-48(31)40(51)54-41(3,4)5;1-19(2)29(39-33(42)43-7)32(41)40-14-8-9-27(40)31-37-26-13-10-20-16-25-23-12-11-22(36-45-34(3,4)35(5,6)46-36)15-21(23)18-44-28(25)17-24(20)30(26)38-31;1-31(2,3)40-30(38)37-14-8-9-26(37)29-35-25-13-10-19-16-24-22-12-11-21(34-41-32(4,5)33(6,7)42-34)15-20(22)18-39-27(24)17-23(19)28(25)36-29;1-28(2,3)34-27(32)31-10-4-5-25(31)24-13-21-20-14-26-22(12-16(20)6-9-23(21)30-24)19-8-7-18(29)11-17(19)15-33-26;1-12(2,3)18-11(17)16-6-4-5-8(16)10-14-7-9(13)15-10/h11,13,17-20,22,31-32,34H,7-10,12,14-16,21H2,1-6H3,(H,42,44)(H,43,45)(H,46,50);11-12,15-17,19,27,29H,8-10,13-14,18H2,1-7H3,(H,37,38)(H,39,42);11-12,15-17,26H,8-10,13-14,18H2,1-7H3,(H,35,36);6-9,11-12,14,25H,4-5,10,13,15H2,1-3H3;7-8H,4-6H2,1-3H3,(H,14,15)/t31-,32-,34-;27-,29-;26-;25-;8-/m00000/s1
• InChIKey: LXETXBSBGGOZIK-LWHBYCGGSA-N
• XLogP: 28.75
• TPSA: 465.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2723.15
LogP ≤ 5	28.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?

The IUPAC name of tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate (CID 159482676) is tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate.

What is the SMILES notation for tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?

The canonical SMILES for tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate is CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2ccc3cc4c(cc3c2C1)OCc1cc(Cl)ccc1-4.CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2c([nH]1)CCc1cc3c(cc1-2)OCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-3.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(Br)[nH]1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c([nH]1)CCc1cc3c(cc1-2)OCc1cc(-c2cnc([C@@H]4CCCN4C(=O)OC(C)(C)C)[nH]2)ccc1-3)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c([nH]1)CCc1cc3c(cc1-2)OCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-3)C(C)C.

What is the InChIKey of tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?

The InChIKey is LXETXBSBGGOZIK-LWHBYCGGSA-N. The full InChI is InChI=1S/C41H49N7O6.C35H43BN4O6.C33H40BN3O5.C28H27ClN2O3.C12H18BrN3O2/c1-22(2)34(46-39(50)52-6)38(49)47-15-7-10-32(47)37-43-29-14-12-23-18-28-26-13-11-24(17-25(26)21-53-33(28)19-27(23)35(29)45-37)30-20-42-36(44-30)31-9-8-16-48(31)40(51)54-41(3,4)5;1-19(2)29(39-33(42)43-7)32(41)40-14-8-9-27(40)31-37-26-13-10-20-16-25-23-12-11-22(36-45-34(3,4)35(5,6)46-36)15-21(23)18-44-28(25)17-24(20)30(26)38-31;1-31(2,3)40-30(38)37-14-8-9-26(37)29-35-25-13-10-19-16-24-22-12-11-21(34-41-32(4,5)33(6,7)42-34)15-20(22)18-39-27(24)17-23(19)28(25)36-29;1-28(2,3)34-27(32)31-10-4-5-25(31)24-13-21-20-14-26-22(12-16(20)6-9-23(21)30-24)19-8-7-18(29)11-17(19)15-33-26;1-12(2,3)18-11(17)16-6-4-5-8(16)10-14-7-9(13)15-10/h11,13,17-20,22,31-32,34H,7-10,12,14-16,21H2,1-6H3,(H,42,44)(H,43,45)(H,46,50);11-12,15-17,19,27,29H,8-10,13-14,18H2,1-7H3,(H,37,38)(H,39,42);11-12,15-17,26H,8-10,13-14,18H2,1-7H3,(H,35,36);6-9,11-12,14,25H,4-5,10,13,15H2,1-3H3;7-8H,4-6H2,1-3H3,(H,14,15)/t31-,32-,34-;27-,29-;26-;25-;8-/m00000/s1.

What are the key properties of tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate?

tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate has a molecular weight of 2723.15 g/mol, XLogP of 28.75, 15 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-6-yl]pyrrolidin-1-yl]butan-2-yl]carbamate is sourced from PubChem (CID 159482676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).