tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide
TL;DR: tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide (CAS 117722-95-9) is a chemical compound with molecular formula C27H38N6O10 and molecular weight 606.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5-amino-2-(N-[(2S)-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-4-nitroanilino)-5-oxopentanoic acid
Also Known As: Boc-ala-ala-pro-glu-pna, tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide, (2S)-5-amino-2-(N-[(2S)-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-4-nitroanilino)-5-oxopentanoic acid, N-(tert-Butoxycarbonyl)-L-alanyl-L-alanyl-L-prolyl-N~2~-(4-nitrophenyl)-L-glutamine, RefChem:188170
| Molecular Formula | C27H38N6O10 |
|---|---|
| Molecular Weight | 606.26 g/mol |
| LogP | 1.0554 |
| Topological Polar Surface Area | 231.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 606.26495 |
| Heavy Atoms | 43 |
| Complexity | 1245.6385 |
Chemical Identifiers
| CAS Number | 117722-95-9 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCC(=O)N)C(=O)O)NC(=O)OC(C)(C)C |
Product Overview
tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide (CAS 117722-95-9), with molecular formula C27H38N6O10 and molecular weight 606.26 g/mol. IUPAC: (2S)-5-amino-2-(N-[(2S)-1-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]-4-nitroanilino)-5-oxopentanoic acid.
Chemical Property Profile of tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide
Property Insights of tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide
The XLogP value of 1.0554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide. The TPSA of 231.58 Ų indicates high polarity, suggesting tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide?
The CAS number of tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide is 117722-95-9.
What is the molecular formula of tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide?
The molecular formula of tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide is C27H38N6O10.
What is the molecular weight of tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide?
The molecular weight of tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide is 606.26 g/mol.
Where can I buy tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide?
You can request a quote for tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide?
Yes, KEHONG BIO provides custom synthesis services for tert-Butoxycarbonyl-alanyl-alanyl-prolyl-glutamyl-4-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.