trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate

C38H54F2N6O6Si — CID 175161904

About trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate

trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate (PubChem CID 175161904) has the molecular formula C38H54F2N6O6Si and a molecular weight of 756.97 g/mol. Its IUPAC name is trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate.

Molecular Properties

• Compound Name: trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate
• PubChem CID: 175161904
• Molecular Formula: C38H54F2N6O6Si
• Molecular Weight: 756.97 g/mol
• Exact Mass: 756.38
• IUPAC Name: trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate
• SMILES: CCN(C(=O)O[Si](C)(C)C)C(CCN(C(=O)CO)C(c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C(C)(C)C)C(=O)NCCNC(=O)CN
• InChI: InChI=1S/C38H54F2N6O6Si/c1-8-45(37(51)52-53(5,6)7)31(36(50)43-18-17-42-33(48)22-41)16-19-46(34(49)25-47)35(38(2,3)4)32-20-27(29-21-28(39)14-15-30(29)40)24-44(32)23-26-12-10-9-11-13-26/h9-15,20-21,24,31,35,47H,8,16-19,22-23,25,41H2,1-7H3,(H,42,48)(H,43,50)
• InChIKey: SXSSCVXIMCTTBT-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 159.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	756.97
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate?

The IUPAC name of trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate (CID 175161904) is trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate.

What is the SMILES notation for trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate?

The canonical SMILES for trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate is CCN(C(=O)O[Si](C)(C)C)C(CCN(C(=O)CO)C(c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C(C)(C)C)C(=O)NCCNC(=O)CN.

What is the InChIKey of trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate?

The InChIKey is SXSSCVXIMCTTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H54F2N6O6Si/c1-8-45(37(51)52-53(5,6)7)31(36(50)43-18-17-42-33(48)22-41)16-19-46(34(49)25-47)35(38(2,3)4)32-20-27(29-21-28(39)14-15-30(29)40)24-44(32)23-26-12-10-9-11-13-26/h9-15,20-21,24,31,35,47H,8,16-19,22-23,25,41H2,1-7H3,(H,42,48)(H,43,50).

What are the key properties of trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate?

trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate has a molecular weight of 756.97 g/mol, XLogP of 4.63, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for trimethylsilyl N-[1-[2-[(2-aminoacetyl)amino]ethylamino]-4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxobutan-2-yl]-N-ethylcarbamate is sourced from PubChem (CID 175161904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).