methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate

C39H48N4O8SSi — CID 174056538

About methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate

methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate (PubChem CID 174056538) has the molecular formula C39H48N4O8SSi and a molecular weight of 760.99 g/mol. Its IUPAC name is methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate.

Molecular Properties

• Compound Name: methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate
• PubChem CID: 174056538
• Molecular Formula: C39H48N4O8SSi
• Molecular Weight: 760.99 g/mol
• Exact Mass: 760.30
• IUPAC Name: methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate
• SMILES: COC(=O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C(NC(=O)c1csc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1)C(C)O
• InChI: InChI=1S/C39H48N4O8SSi/c1-25(44)32(43-33(45)31-24-52-35(42-31)26-19-21-27(22-20-26)40-37(48)51-38(2,3)4)34(46)41-30(36(47)49-8)23-50-53(39(5,6)7,28-15-11-9-12-16-28)29-17-13-10-14-18-29/h9-22,24-25,30,32,44H,23H2,1-8H3,(H,40,48)(H,41,46)(H,43,45)
• InChIKey: UYEPRVIEGHCLTN-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 165.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	760.99
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate?

The IUPAC name of methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate (CID 174056538) is methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate.

What is the SMILES notation for methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate?

The canonical SMILES for methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate is COC(=O)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C(NC(=O)c1csc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1)C(C)O.

What is the InChIKey of methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate?

The InChIKey is UYEPRVIEGHCLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H48N4O8SSi/c1-25(44)32(43-33(45)31-24-52-35(42-31)26-19-21-27(22-20-26)40-37(48)51-38(2,3)4)34(46)41-30(36(47)49-8)23-50-53(39(5,6)7,28-15-11-9-12-16-28)29-17-13-10-14-18-29/h9-22,24-25,30,32,44H,23H2,1-8H3,(H,40,48)(H,41,46)(H,43,45).

What are the key properties of methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate?

methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate has a molecular weight of 760.99 g/mol, XLogP of 4.87, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[[3-hydroxy-2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carbonyl]amino]butanoyl]amino]propanoate is sourced from PubChem (CID 174056538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).