tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate

C23H42N4O4S2Si — CID 10951568

About tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate

tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate (PubChem CID 10951568) has the molecular formula C23H42N4O4S2Si and a molecular weight of 530.83 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate
• PubChem CID: 10951568
• Molecular Formula: C23H42N4O4S2Si
• Molecular Weight: 530.83 g/mol
• Exact Mass: 530.24
• IUPAC Name: tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate
• SMILES: CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N[C@H](C(N)=S)[C@@H](C)O[Si](C)(C)C(C)(C)C)cs1
• InChI: InChI=1S/C23H42N4O4S2Si/c1-13(2)16(27-21(29)30-22(4,5)6)20-25-15(12-33-20)19(28)26-17(18(24)32)14(3)31-34(10,11)23(7,8)9/h12-14,16-17H,1-11H3,(H2,24,32)(H,26,28)(H,27,29)/t14-,16-,17+/m1/s1
• InChIKey: RZMYYNUDEDPVIU-OIISXLGYSA-N
• XLogP: 5.16
• TPSA: 115.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.83
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate?

The IUPAC name of tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate (CID 10951568) is tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate.

What is the SMILES notation for tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate?

The canonical SMILES for tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate is CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N[C@H](C(N)=S)[C@@H](C)O[Si](C)(C)C(C)(C)C)cs1.

What is the InChIKey of tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate?

The InChIKey is RZMYYNUDEDPVIU-OIISXLGYSA-N. The full InChI is InChI=1S/C23H42N4O4S2Si/c1-13(2)16(27-21(29)30-22(4,5)6)20-25-15(12-33-20)19(28)26-17(18(24)32)14(3)31-34(10,11)23(7,8)9/h12-14,16-17H,1-11H3,(H2,24,32)(H,26,28)(H,27,29)/t14-,16-,17+/m1/s1.

What are the key properties of tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate?

tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate has a molecular weight of 530.83 g/mol, XLogP of 5.16, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1R)-1-[4-[[(2S,3R)-1-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-sulfanylidenebutan-2-yl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate is sourced from PubChem (CID 10951568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).