tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

C36H48N2O4SSi — CID 11061212

About tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate (PubChem CID 11061212) has the molecular formula C36H48N2O4SSi and a molecular weight of 632.94 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 11061212
• Molecular Formula: C36H48N2O4SSi
• Molecular Weight: 632.94 g/mol
• Exact Mass: 632.31
• IUPAC Name: tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
• SMILES: CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCc2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21
• InChI: InChI=1S/C36H48N2O4SSi/c1-35(2,3)41-34(40)38-32(23-24-43-7)33(39)37-31-20-14-15-26-21-22-27(25-30(26)31)42-44(36(4,5)6,28-16-10-8-11-17-28)29-18-12-9-13-19-29/h8-13,16-19,21-22,25,31-32H,14-15,20,23-24H2,1-7H3,(H,37,39)(H,38,40)/t31?,32-/m1/s1
• InChIKey: NCQVLMVAMIOZST-IADGFXSZSA-N
• XLogP: 6.77
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.94
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate (CID 11061212) is tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate is CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCc2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21.

What is the InChIKey of tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate?

The InChIKey is NCQVLMVAMIOZST-IADGFXSZSA-N. The full InChI is InChI=1S/C36H48N2O4SSi/c1-35(2,3)41-34(40)38-32(23-24-43-7)33(39)37-31-20-14-15-26-21-22-27(25-30(26)31)42-44(36(4,5)6,28-16-10-8-11-17-28)29-18-12-9-13-19-29/h8-13,16-19,21-22,25,31-32H,14-15,20,23-24H2,1-7H3,(H,37,39)(H,38,40)/t31?,32-/m1/s1.

What are the key properties of tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate?

tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate has a molecular weight of 632.94 g/mol, XLogP of 6.77, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2R)-1-[[7-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 11061212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).