(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide

C32H49NO6Si — CID 11455895

About (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide (PubChem CID 11455895) has the molecular formula C32H49NO6Si and a molecular weight of 571.83 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide.

Molecular Properties

• Compound Name: (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide
• PubChem CID: 11455895
• Molecular Formula: C32H49NO6Si
• Molecular Weight: 571.83 g/mol
• Exact Mass: 571.33
• IUPAC Name: (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide
• SMILES: CC1(C)OC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(C)(C)O)O1
• InChI: InChI=1S/C32H49NO6Si/c1-30(2,3)40(8,9)39-27(25-22-37-32(6,7)38-25)28(36-21-24-18-14-11-15-19-24)29(34)33-26(31(4,5)35)20-23-16-12-10-13-17-23/h10-19,25-28,35H,20-22H2,1-9H3,(H,33,34)/t25-,26+,27-,28+/m1/s1
• InChIKey: SLUOAMWXSQKIIT-GCFVYEKYSA-N
• XLogP: 5.61
• TPSA: 86.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.83
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
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 (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide?

The IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide (CID 11455895) is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide.

What is the SMILES notation for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide?

The canonical SMILES for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide is CC1(C)OC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(C)(C)O)O1.

What is the InChIKey of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide?

The InChIKey is SLUOAMWXSQKIIT-GCFVYEKYSA-N. The full InChI is InChI=1S/C32H49NO6Si/c1-30(2,3)40(8,9)39-27(25-22-37-32(6,7)38-25)28(36-21-24-18-14-11-15-19-24)29(34)33-26(31(4,5)35)20-23-16-12-10-13-17-23/h10-19,25-28,35H,20-22H2,1-9H3,(H,33,34)/t25-,26+,27-,28+/m1/s1.

What are the key properties of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide?

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide has a molecular weight of 571.83 g/mol, XLogP of 5.61, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[(2S)-3-hydroxy-3-methyl-1-phenylbutan-2-yl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 11455895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).