tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate

C27H42N4O7S2Si — CID 146167600

About tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate

tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate (PubChem CID 146167600) has the molecular formula C27H42N4O7S2Si and a molecular weight of 626.87 g/mol. Its IUPAC name is tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate
• PubChem CID: 146167600
• Molecular Formula: C27H42N4O7S2Si
• Molecular Weight: 626.87 g/mol
• Exact Mass: 626.23
• IUPAC Name: tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCC(=O)c1csc(C(=O)C(O[Si](C)(C)C(C)(C)C)c2csc(CNC(=O)OC(C)(C)C)n2)n1
• InChI: InChI=1S/C27H42N4O7S2Si/c1-25(2,3)36-23(34)28-12-18(32)16-14-40-22(31-16)20(33)21(38-41(10,11)27(7,8)9)17-15-39-19(30-17)13-29-24(35)37-26(4,5)6/h14-15,21H,12-13H2,1-11H3,(H,28,34)(H,29,35)
• InChIKey: BYQRPBYNTQVSSF-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 145.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	626.87
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate?

The IUPAC name of tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate (CID 146167600) is tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate?

The canonical SMILES for tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC(=O)c1csc(C(=O)C(O[Si](C)(C)C(C)(C)C)c2csc(CNC(=O)OC(C)(C)C)n2)n1.

What is the InChIKey of tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate?

The InChIKey is BYQRPBYNTQVSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O7S2Si/c1-25(2,3)36-23(34)28-12-18(32)16-14-40-22(31-16)20(33)21(38-41(10,11)27(7,8)9)17-15-39-19(30-17)13-29-24(35)37-26(4,5)6/h14-15,21H,12-13H2,1-11H3,(H,28,34)(H,29,35).

What are the key properties of tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate?

tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate has a molecular weight of 626.87 g/mol, XLogP of 6.28, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[4-[1-[tert-butyl(dimethyl)silyl]oxy-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazol-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 146167600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).