tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C147H177BBrN21O20 — CID 157262724

About tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 157262724) has the molecular formula C147H177BBrN21O20 and a molecular weight of 2648.88 g/mol. Its IUPAC name is tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 157262724
• Molecular Formula: C147H177BBrN21O20
• Molecular Weight: 2648.88 g/mol
• Exact Mass: 2646.28
• IUPAC Name: tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)CCc2cc(-c4ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)OC(C)(C)C)[nH]c5c4)ccc2-3)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)CCc2cc(Br)ccc2-3)[nH]1.CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1.COC(=O)N[C@@H](C)C(=O)O.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)CCc2cc(-c4ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)ccc2-3)[nH]1)C(C)C
• InChI: InChI=1S/C48H56N8O6.C44H50N6O4.C26H28BrN3O2.C24H34BN3O4.C5H9NO4/c1-25(2)40(53-47(59)61-5)45(57)55-19-7-8-39(55)43-49-24-38(52-43)31-13-17-35-30(21-31)10-9-29-20-27(12-16-34(29)35)28-14-18-36-37(23-28)51-44(50-36)42-32-11-15-33(22-32)56(42)46(58)41(26(3)4)54-48(60)62-6;1-43(2,3)53-41(51)49-19-7-8-37(49)39-45-24-36(48-39)29-13-17-33-28(21-29)10-9-27-20-25(12-16-32(27)33)26-14-18-34-35(23-26)47-40(46-34)38-30-11-15-31(22-30)50(38)42(52)54-44(4,5)6;1-26(2,3)32-25(31)30-12-4-5-23(30)24-28-15-22(29-24)18-8-10-20-16(13-18)6-7-17-14-19(27)9-11-21(17)20;1-22(2,3)30-21(29)28-16-10-8-14(12-16)19(28)20-26-17-11-9-15(13-18(17)27-20)25-31-23(4,5)24(6,7)32-25;1-3(4(7)8)6-5(9)10-2/h12-14,16-18,20-21,23-26,32-33,39-42H,7-11,15,19,22H2,1-6H3,(H,49,52)(H,50,51)(H,53,59)(H,54,60);12-14,16-18,20-21,23-24,30-31,37-38H,7-11,15,19,22H2,1-6H3,(H,45,48)(H,46,47);8-11,13-15,23H,4-7,12H2,1-3H3,(H,28,29);9,11,13-14,16,19H,8,10,12H2,1-7H3,(H,26,27);3H,1-2H3,(H,6,9)(H,7,8)/t32-,33+,39-,40-,41-,42-;30-,31+,37-,38-;23-;14-,16+,19-;3-/m00000/s1
• InChIKey: AXQMAEVPOYUWIV-QDPQXVKFSA-N
• XLogP: 28.60
• TPSA: 501.61 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2648.88
LogP ≤ 5	28.60
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

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-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 157262724) is tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)CCc2cc(-c4ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)OC(C)(C)C)[nH]c5c4)ccc2-3)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)CCc2cc(Br)ccc2-3)[nH]1.CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1.COC(=O)N[C@@H](C)C(=O)O.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)CCc2cc(-c4ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)ccc2-3)[nH]1)C(C)C.

What is the InChIKey of tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The InChIKey is AXQMAEVPOYUWIV-QDPQXVKFSA-N. The full InChI is InChI=1S/C48H56N8O6.C44H50N6O4.C26H28BrN3O2.C24H34BN3O4.C5H9NO4/c1-25(2)40(53-47(59)61-5)45(57)55-19-7-8-39(55)43-49-24-38(52-43)31-13-17-35-30(21-31)10-9-29-20-27(12-16-34(29)35)28-14-18-36-37(23-28)51-44(50-36)42-32-11-15-33(22-32)56(42)46(58)41(26(3)4)54-48(60)62-6;1-43(2,3)53-41(51)49-19-7-8-37(49)39-45-24-36(48-39)29-13-17-33-28(21-29)10-9-27-20-25(12-16-32(27)33)26-14-18-34-35(23-26)47-40(46-34)38-30-11-15-31(22-30)50(38)42(52)54-44(4,5)6;1-26(2,3)32-25(31)30-12-4-5-23(30)24-28-15-22(29-24)18-8-10-20-16(13-18)6-7-17-14-19(27)9-11-21(17)20;1-22(2,3)30-21(29)28-16-10-8-14(12-16)19(28)20-26-17-11-9-15(13-18(17)27-20)25-31-23(4,5)24(6,7)32-25;1-3(4(7)8)6-5(9)10-2/h12-14,16-18,20-21,23-26,32-33,39-42H,7-11,15,19,22H2,1-6H3,(H,49,52)(H,50,51)(H,53,59)(H,54,60);12-14,16-18,20-21,23-24,30-31,37-38H,7-11,15,19,22H2,1-6H3,(H,45,48)(H,46,47);8-11,13-15,23H,4-7,12H2,1-3H3,(H,28,29);9,11,13-14,16,19H,8,10,12H2,1-7H3,(H,26,27);3H,1-2H3,(H,6,9)(H,7,8)/t32-,33+,39-,40-,41-,42-;30-,31+,37-,38-;23-;14-,16+,19-;3-/m00000/s1.

What are the key properties of tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 2648.88 g/mol, XLogP of 28.60, 20 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[5-(7-bromo-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (1R,3S,4S)-3-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate;(2S)-2-(methoxycarbonylamino)propanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 157262724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).