2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

C43H77N5O9S2Si3 — CID 11286092

About 2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11286092) has the molecular formula C43H77N5O9S2Si3 and a molecular weight of 956.51 g/mol. Its IUPAC name is 2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 11286092
• Molecular Formula: C43H77N5O9S2Si3
• Molecular Weight: 956.51 g/mol
• Exact Mass: 955.45
• IUPAC Name: 2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
• SMILES: C/C=C(\NC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OCC[Si](C)(C)C)C1=NC(C(=O)N[C@H](c2nc(C(=O)OCC)cs2)[C@](C)(O[Si](CC)(CC)CC)[C@@H](C)O[Si](CC)(CC)CC)CS1
• InChI: InChI=1S/C43H77N5O9S2Si3/c1-17-31(44-37(50)34-29(9)55-42(11,12)48(34)41(52)54-25-26-60(14,15)16)38-45-32(27-58-38)36(49)47-35(39-46-33(28-59-39)40(51)53-18-2)43(13,57-62(22-6,23-7)24-8)30(10)56-61(19-3,20-4)21-5/h17,28-30,32,34-35H,18-27H2,1-16H3,(H,44,50)(H,47,49)/b31-17-/t29-,30-,32?,34+,35-,43-/m1/s1
• InChIKey: NUVOVMVYAIKBFA-SGAFLIRASA-N
• XLogP: 9.50
• TPSA: 166.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 23
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	956.51
LogP ≤ 5	9.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of 2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (CID 11286092) is 2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for 2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for 2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is C/C=C(\NC(=O)[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OCC[Si](C)(C)C)C1=NC(C(=O)N[C@H](c2nc(C(=O)OCC)cs2)[C@](C)(O[Si](CC)(CC)CC)[C@@H](C)O[Si](CC)(CC)CC)CS1.

What is the InChIKey of 2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

The InChIKey is NUVOVMVYAIKBFA-SGAFLIRASA-N. The full InChI is InChI=1S/C43H77N5O9S2Si3/c1-17-31(44-37(50)34-29(9)55-42(11,12)48(34)41(52)54-25-26-60(14,15)16)38-45-32(27-58-38)36(49)47-35(39-46-33(28-59-39)40(51)53-18-2)43(13,57-62(22-6,23-7)24-8)30(10)56-61(19-3,20-4)21-5/h17,28-30,32,34-35H,18-27H2,1-16H3,(H,44,50)(H,47,49)/b31-17-/t29-,30-,32?,34+,35-,43-/m1/s1.

What are the key properties of 2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 956.51 g/mol, XLogP of 9.50, 23 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl (4S,5R)-4-[[(Z)-1-[4-[[(1S,2S,3R)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-2-methyl-2,3-bis(triethylsilyloxy)butyl]carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]prop-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11286092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).