tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium)

C133H174N22O18Pd2-2 — CID 161293040

About tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium)

tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium) (PubChem CID 161293040) has the molecular formula C133H174N22O18Pd2-2 and a molecular weight of 2581.83 g/mol. Its IUPAC name is tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium).

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium)
• PubChem CID: 161293040
• Molecular Formula: C133H174N22O18Pd2-2
• Molecular Weight: 2581.83 g/mol
• Exact Mass: 2579.15
• IUPAC Name: tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium)
• SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5)[nH]4)cc3)cc2)[nH]1.CC(C)[C@@H](N)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1.CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O.CC(C)[C@H](N)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O.CO.CO.[CH3-].[CH3-].[Pd].[Pd]
• InChI: InChI=1S/2C36H45N7O3.C31H36N6O2.2C13H17NO4.2CH4O.2CH3.2Pd/c2*1-22(2)31(37)34(44)42-18-6-8-29(42)32-38-20-27(40-32)25-14-10-23(11-15-25)24-12-16-26(17-13-24)28-21-39-33(41-28)30-9-7-19-43(30)35(45)46-36(3,4)5;1-31(2,3)39-30(38)37-17-5-7-27(37)29-34-19-26(36-29)23-14-10-21(11-15-23)20-8-12-22(13-9-20)25-18-33-28(35-25)24-6-4-16-32-24;2*1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10;2*1-2;;;;/h2*10-17,20-22,29-31H,6-9,18-19,37H2,1-5H3,(H,38,40)(H,39,41);8-15,18-19,24,27,32H,4-7,16-17H2,1-3H3,(H,33,35)(H,34,36);2*3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16);2*2H,1H3;2*1H3;;/q;;;;;;;2*-1;;/t29-,30-,31+;29-,30-,31-;24-,27-;2*11-;;;;;;/m00010....../s1
• InChIKey: TWFZDXLHVIPQIW-MPRSMJHYSA-N
• XLogP: 24.49
• TPSA: 557.11 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2581.83
LogP ≤ 5	24.49
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium)?

The IUPAC name of tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium) (CID 161293040) is tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium).

What is the SMILES notation for tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium)?

The canonical SMILES for tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium) is CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5)[nH]4)cc3)cc2)[nH]1.CC(C)[C@@H](N)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1.CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O.CC(C)[C@H](N)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cc2)[nH]1.CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O.CO.CO.[CH3-].[CH3-].[Pd].[Pd].

What is the InChIKey of tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium)?

The InChIKey is TWFZDXLHVIPQIW-MPRSMJHYSA-N. The full InChI is InChI=1S/2C36H45N7O3.C31H36N6O2.2C13H17NO4.2CH4O.2CH3.2Pd/c2*1-22(2)31(37)34(44)42-18-6-8-29(42)32-38-20-27(40-32)25-14-10-23(11-15-25)24-12-16-26(17-13-24)28-21-39-33(41-28)30-9-7-19-43(30)35(45)46-36(3,4)5;1-31(2,3)39-30(38)37-17-5-7-27(37)29-34-19-26(36-29)23-14-10-21(11-15-23)20-8-12-22(13-9-20)25-18-33-28(35-25)24-6-4-16-32-24;2*1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10;2*1-2;;;;/h2*10-17,20-22,29-31H,6-9,18-19,37H2,1-5H3,(H,38,40)(H,39,41);8-15,18-19,24,27,32H,4-7,16-17H2,1-3H3,(H,33,35)(H,34,36);2*3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16);2*2H,1H3;2*1H3;;/q;;;;;;;2*-1;;/t29-,30-,31+;29-,30-,31-;24-,27-;2*11-;;;;;;/m00010....../s1.

What are the key properties of tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium)?

tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium) has a molecular weight of 2581.83 g/mol, XLogP of 24.49, 29 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methanol;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;bis(palladium) is sourced from PubChem (CID 161293040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).