(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide

C90H122N4O8Si4 — CID 142492734

IUPAC(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide
SMILESC[C@H](CC(=O)NCCCN(CCCCN(CCCNC(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C90H122N4O8Si4/c1-71(99-103(87(5,6)7,75-45-25-17-26-46-75)76-47-27-18-28-48-76)67-83(95)91-61-43-65-93(85(97)69-73(3)101-105(89(11,12)13,79-53-33-21-34-54-79)80-55-35-22-36-56-80)63-41-42-64-94(86(98)70-74(4)102-106(90(14,15)16,81-57-37-23-38-58-81)82-59-39-24-40-60-82)66-44-62-92-84(96)68-72(2)100-104(88(8,9)10,77-49-29-19-30-50-77)78-51-31-20-32-52-78/h17-40,45-60,71-74H,41-44,61-70H2,1-16H3,(H,91,95)(H,92,96)/t71-,72-,73-,74-/m1/s1
InChIKeyKNTPJBLONDWUHR-BHKMUHICSA-N
MW1500.33 g/mol
LogP13.86
Rot. Bonds37

About (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide

(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide (PubChem CID 142492734) has the molecular formula C90H122N4O8Si4 and a molecular weight of 1500.33 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide
PubChem CID142492734
Molecular FormulaC90H122N4O8Si4
Molecular Weight1500.33 g/mol
Exact Mass1498.83
IUPAC Name(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide
SMILESC[C@H](CC(=O)NCCCN(CCCCN(CCCNC(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C90H122N4O8Si4/c1-71(99-103(87(5,6)7,75-45-25-17-26-46-75)76-47-27-18-28-48-76)67-83(95)91-61-43-65-93(85(97)69-73(3)101-105(89(11,12)13,79-53-33-21-34-54-79)80-55-35-22-36-56-80)63-41-42-64-94(86(98)70-74(4)102-106(90(14,15)16,81-57-37-23-38-58-81)82-59-39-24-40-60-82)66-44-62-92-84(96)68-72(2)100-104(88(8,9)10,77-49-29-19-30-50-77)78-51-31-20-32-52-78/h17-40,45-60,71-74H,41-44,61-70H2,1-16H3,(H,91,95)(H,92,96)/t71-,72-,73-,74-/m1/s1
InChIKeyKNTPJBLONDWUHR-BHKMUHICSA-N
XLogP13.86
TPSA135.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds37
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001500.33
LogP ≤ 513.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide?
The IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide (CID 142492734) is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide.
What is the SMILES notation for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide?
The canonical SMILES for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide is C[C@H](CC(=O)NCCCN(CCCCN(CCCNC(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide?
The InChIKey is KNTPJBLONDWUHR-BHKMUHICSA-N. The full InChI is InChI=1S/C90H122N4O8Si4/c1-71(99-103(87(5,6)7,75-45-25-17-26-46-75)76-47-27-18-28-48-76)67-83(95)91-61-43-65-93(85(97)69-73(3)101-105(89(11,12)13,79-53-33-21-34-54-79)80-55-35-22-36-56-80)63-41-42-64-94(86(98)70-74(4)102-106(90(14,15)16,81-57-37-23-38-58-81)82-59-39-24-40-60-82)66-44-62-92-84(96)68-72(2)100-104(88(8,9)10,77-49-29-19-30-50-77)78-51-31-20-32-52-78/h17-40,45-60,71-74H,41-44,61-70H2,1-16H3,(H,91,95)(H,92,96)/t71-,72-,73-,74-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide?
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide has a molecular weight of 1500.33 g/mol, XLogP of 13.86, 37 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[4-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]amino]butyl]amino]propyl]butanamide is sourced from PubChem (CID 142492734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).