tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate

C23H46N2O6Si — CID 10790709

About tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate

tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate (PubChem CID 10790709) has the molecular formula C23H46N2O6Si and a molecular weight of 474.72 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate
• PubChem CID: 10790709
• Molecular Formula: C23H46N2O6Si
• Molecular Weight: 474.72 g/mol
• Exact Mass: 474.31
• IUPAC Name: tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate
• SMILES: CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](CC[Si](C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C23H46N2O6Si/c1-15(2)14-17(20(28)30-22(3,4)5)24-19(27)18(26)16(12-13-32(9,10)11)25-21(29)31-23(6,7)8/h15-18,26H,12-14H2,1-11H3,(H,24,27)(H,25,29)/t16-,17+,18+/m1/s1
• InChIKey: KUUNYCBIXAKECI-SQNIBIBYSA-N
• XLogP: 3.84
• TPSA: 113.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.72
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate?

The IUPAC name of tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate (CID 10790709) is tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate.

What is the SMILES notation for tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate?

The canonical SMILES for tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate is CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](CC[Si](C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate?

The InChIKey is KUUNYCBIXAKECI-SQNIBIBYSA-N. The full InChI is InChI=1S/C23H46N2O6Si/c1-15(2)14-17(20(28)30-22(3,4)5)24-19(27)18(26)16(12-13-32(9,10)11)25-21(29)31-23(6,7)8/h15-18,26H,12-14H2,1-11H3,(H,24,27)(H,25,29)/t16-,17+,18+/m1/s1.

What are the key properties of tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate?

tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate has a molecular weight of 474.72 g/mol, XLogP of 3.84, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-trimethylsilylpentanoyl]amino]-4-methylpentanoate is sourced from PubChem (CID 10790709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).