benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate

C47H53FN2O6Si — CID 71048092

About benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate

benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate (PubChem CID 71048092) has the molecular formula C47H53FN2O6Si and a molecular weight of 789.03 g/mol. Its IUPAC name is benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate
• PubChem CID: 71048092
• Molecular Formula: C47H53FN2O6Si
• Molecular Weight: 789.03 g/mol
• Exact Mass: 788.37
• IUPAC Name: benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate
• SMILES: COc1ccc([C@@H]2C(CC[C@H](O[Si](C)(C)C(C)(C)C)c3ccc(F)cc3)C(=O)N2c2ccc(CNC(=O)OCc3ccccc3)cc2)c(OCc2ccccc2)c1
• InChI: InChI=1S/C47H53FN2O6Si/c1-47(2,3)57(5,6)56-42(36-19-21-37(48)22-20-36)28-27-41-44(40-26-25-39(53-4)29-43(40)54-31-34-13-9-7-10-14-34)50(45(41)51)38-23-17-33(18-24-38)30-49-46(52)55-32-35-15-11-8-12-16-35/h7-26,29,41-42,44H,27-28,30-32H2,1-6H3,(H,49,52)/t41?,42-,44+/m0/s1
• InChIKey: NEBFLZSKNDVSAE-MCKRURCTSA-N
• XLogP: 11.09
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.03
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate?

The IUPAC name of benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate (CID 71048092) is benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate.

What is the SMILES notation for benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate?

The canonical SMILES for benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate is COc1ccc([C@@H]2C(CC[C@H](O[Si](C)(C)C(C)(C)C)c3ccc(F)cc3)C(=O)N2c2ccc(CNC(=O)OCc3ccccc3)cc2)c(OCc2ccccc2)c1.

What is the InChIKey of benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate?

The InChIKey is NEBFLZSKNDVSAE-MCKRURCTSA-N. The full InChI is InChI=1S/C47H53FN2O6Si/c1-47(2,3)57(5,6)56-42(36-19-21-37(48)22-20-36)28-27-41-44(40-26-25-39(53-4)29-43(40)54-31-34-13-9-7-10-14-34)50(45(41)51)38-23-17-33(18-24-38)30-49-46(52)55-32-35-15-11-8-12-16-35/h7-26,29,41-42,44H,27-28,30-32H2,1-6H3,(H,49,52)/t41?,42-,44+/m0/s1.

What are the key properties of benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate?

benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate has a molecular weight of 789.03 g/mol, XLogP of 11.09, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[[4-[(2S)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-2-(4-methoxy-2-phenylmethoxyphenyl)-4-oxoazetidin-1-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 71048092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).