[ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate

C53H73N3O5Si — CID 158119415

About [ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate

[ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate (PubChem CID 158119415) has the molecular formula C53H73N3O5Si and a molecular weight of 860.27 g/mol. Its IUPAC name is [ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate.

Molecular Properties

• Compound Name: [ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate
• PubChem CID: 158119415
• Molecular Formula: C53H73N3O5Si
• Molecular Weight: 860.27 g/mol
• Exact Mass: 859.53
• IUPAC Name: [ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate
• SMILES: CC[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O[Si](CC(C)C)(C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C53H73N3O5Si/c1-13-44(34-40-26-18-14-19-27-40)48(57)54(10)45(35-41-28-20-15-21-29-41)49(58)55(11)46(36-42-30-22-16-23-31-42)50(59)56(12)47(37-43-32-24-17-25-33-43)51(60)61-62(38-39(2)3,52(4,5)6)53(7,8)9/h14-33,39,44-47H,13,34-38H2,1-12H3/t44-,45-,46-,47-/m0/s1
• InChIKey: ZGDYNNWLGRHZMY-GBGBWPTHSA-N
• XLogP: 10.21
• TPSA: 87.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 19
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.27
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate?

The IUPAC name of [ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate (CID 158119415) is [ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate.

What is the SMILES notation for [ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate?

The canonical SMILES for [ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate is CC[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O[Si](CC(C)C)(C(C)(C)C)C(C)(C)C.

What is the InChIKey of [ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate?

The InChIKey is ZGDYNNWLGRHZMY-GBGBWPTHSA-N. The full InChI is InChI=1S/C53H73N3O5Si/c1-13-44(34-40-26-18-14-19-27-40)48(57)54(10)45(35-41-28-20-15-21-29-41)49(58)55(11)46(36-42-30-22-16-23-31-42)50(59)56(12)47(37-43-32-24-17-25-33-43)51(60)61-62(38-39(2)3,52(4,5)6)53(7,8)9/h14-33,39,44-47H,13,34-38H2,1-12H3/t44-,45-,46-,47-/m0/s1.

What are the key properties of [ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate?

[ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate has a molecular weight of 860.27 g/mol, XLogP of 10.21, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [ditert-butyl(2-methylpropyl)silyl] (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-benzylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoate is sourced from PubChem (CID 158119415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).