tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

C55H72N8O15SSi — CID 11491728

About tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11491728) has the molecular formula C55H72N8O15SSi and a molecular weight of 1145.37 g/mol. Its IUPAC name is tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 11491728
• Molecular Formula: C55H72N8O15SSi
• Molecular Weight: 1145.37 g/mol
• Exact Mass: 1144.46
• IUPAC Name: tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
• SMILES: COC(=O)[C@H](CO)NC(=O)c1nc([C@@H](NC(=O)c2csc(C(NC(=O)c3nc(/C(=C/[C@H](C)O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)NC(=O)[C@@H]4[C@@H](C)OC(C)(C)N4C(=O)OC(C)(C)C)oc3C)OC)n2)[C@@H](C)O)oc1C
• InChI: InChI=1S/C55H72N8O15SSi/c1-29(78-80(54(9,10)11,34-22-18-16-19-23-34)35-24-20-17-21-25-35)26-36(56-46(69)42-33(5)76-55(12,13)63(42)52(71)77-53(6,7)8)47-60-41(31(3)74-47)45(68)62-49(72-14)50-58-38(28-79-50)43(66)59-39(30(2)65)48-61-40(32(4)75-48)44(67)57-37(27-64)51(70)73-15/h16-26,28-30,33,37,39,42,49,64-65H,27H2,1-15H3,(H,56,69)(H,57,67)(H,59,66)(H,62,68)/b36-26-/t29-,30+,33+,37-,39-,42-,49?/m0/s1
• InChIKey: YTVBIOMRLYKNFF-BRLDDPFUSA-N
• XLogP: 5.11
• TPSA: 305.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1145.37
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (CID 11491728) is tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)[C@H](CO)NC(=O)c1nc([C@@H](NC(=O)c2csc(C(NC(=O)c3nc(/C(=C/[C@H](C)O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)NC(=O)[C@@H]4[C@@H](C)OC(C)(C)N4C(=O)OC(C)(C)C)oc3C)OC)n2)[C@@H](C)O)oc1C.

What is the InChIKey of tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

The InChIKey is YTVBIOMRLYKNFF-BRLDDPFUSA-N. The full InChI is InChI=1S/C55H72N8O15SSi/c1-29(78-80(54(9,10)11,34-22-18-16-19-23-34)35-24-20-17-21-25-35)26-36(56-46(69)42-33(5)76-55(12,13)63(42)52(71)77-53(6,7)8)47-60-41(31(3)74-47)45(68)62-49(72-14)50-58-38(28-79-50)43(66)59-39(30(2)65)48-61-40(32(4)75-48)44(67)57-37(27-64)51(70)73-15/h16-26,28-30,33,37,39,42,49,64-65H,27H2,1-15H3,(H,56,69)(H,57,67)(H,59,66)(H,62,68)/b36-26-/t29-,30+,33+,37-,39-,42-,49?/m0/s1.

What are the key properties of tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?

tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 1145.37 g/mol, XLogP of 5.11, 20 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S,5R)-4-[[(Z,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-[4-[[[4-[[(1S,2R)-2-hydroxy-1-[4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]-methoxymethyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]but-1-enyl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11491728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).