methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

C44H60N8O6Si — CID 123560287

About methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 123560287) has the molecular formula C44H60N8O6Si and a molecular weight of 825.10 g/mol. Its IUPAC name is methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 123560287
• Molecular Formula: C44H60N8O6Si
• Molecular Weight: 825.10 g/mol
• Exact Mass: 824.44
• IUPAC Name: methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
• SMILES: COC(=O)NC(C(=O)N(C[Si](C)(C)C)C(C)c1ncc(-c2ccc(-c3ccc(-c4ncc(C5CC6C(C)C6N5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C
• InChI: InChI=1S/C44H60N8O6Si/c1-24(2)36(49-43(55)57-7)41(53)51(23-59(9,10)11)27(6)39-45-21-33(47-39)30-16-12-28(13-17-30)29-14-18-31(19-15-29)40-46-22-34(48-40)35-20-32-26(5)38(32)52(35)42(54)37(25(3)4)50-44(56)58-8/h12-19,21-22,24-27,32,35-38H,20,23H2,1-11H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)
• InChIKey: SDUNVFCAOCVDIT-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 174.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.10
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 123560287) is methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is COC(=O)NC(C(=O)N(C[Si](C)(C)C)C(C)c1ncc(-c2ccc(-c3ccc(-c4ncc(C5CC6C(C)C6N5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C.

What is the InChIKey of methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?

The InChIKey is SDUNVFCAOCVDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H60N8O6Si/c1-24(2)36(49-43(55)57-7)41(53)51(23-59(9,10)11)27(6)39-45-21-33(47-39)30-16-12-28(13-17-30)29-14-18-31(19-15-29)40-46-22-34(48-40)35-20-32-26(5)38(32)52(35)42(54)37(25(3)4)50-44(56)58-8/h12-19,21-22,24-27,32,35-38H,20,23H2,1-11H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56).

What are the key properties of methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?

methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 825.10 g/mol, XLogP of 7.57, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[1-[5-[4-[4-[5-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-2-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl-(trimethylsilylmethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 123560287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).