tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate

C35H52N6O8S3Si2 — CID 11564121

About tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 11564121) has the molecular formula C35H52N6O8S3Si2 and a molecular weight of 837.21 g/mol. Its IUPAC name is tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate
• PubChem CID: 11564121
• Molecular Formula: C35H52N6O8S3Si2
• Molecular Weight: 837.21 g/mol
• Exact Mass: 836.25
• IUPAC Name: tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate
• SMILES: C[C@H]1OC(=O)N(C(=O)OC(C)(C)C)[C@@H]1c1nc([C@H]2N[C@@H](c3nc(C(=O)OCC[Si](C)(C)C)cs3)CC[C@]2(N)c2nc(C(=O)OCC[Si](C)(C)C)cs2)cs1
• InChI: InChI=1S/C35H52N6O8S3Si2/c1-20-25(41(32(44)48-20)33(45)49-34(2,3)4)28-38-22(17-51-28)26-35(36,31-40-24(19-52-31)30(43)47-14-16-54(8,9)10)12-11-21(37-26)27-39-23(18-50-27)29(42)46-13-15-53(5,6)7/h17-21,25-26,37H,11-16,36H2,1-10H3/t20-,21-,25+,26-,35-/m1/s1
• InChIKey: UGXHXJRGAYRAGR-NSJJLFERSA-N
• XLogP: 7.88
• TPSA: 185.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	837.21
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate (CID 11564121) is tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate is C[C@H]1OC(=O)N(C(=O)OC(C)(C)C)[C@@H]1c1nc([C@H]2N[C@@H](c3nc(C(=O)OCC[Si](C)(C)C)cs3)CC[C@]2(N)c2nc(C(=O)OCC[Si](C)(C)C)cs2)cs1.

What is the InChIKey of tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate?

The InChIKey is UGXHXJRGAYRAGR-NSJJLFERSA-N. The full InChI is InChI=1S/C35H52N6O8S3Si2/c1-20-25(41(32(44)48-20)33(45)49-34(2,3)4)28-38-22(17-51-28)26-35(36,31-40-24(19-52-31)30(43)47-14-16-54(8,9)10)12-11-21(37-26)27-39-23(18-50-27)29(42)46-13-15-53(5,6)7/h17-21,25-26,37H,11-16,36H2,1-10H3/t20-,21-,25+,26-,35-/m1/s1.

What are the key properties of tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate?

tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 837.21 g/mol, XLogP of 7.88, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S,5R)-4-[4-[(2S,3R,6R)-3-amino-3,6-bis[4-(2-trimethylsilylethoxycarbonyl)-1,3-thiazol-2-yl]piperidin-2-yl]-1,3-thiazol-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11564121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).