![N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine structure](/static/products/117/1173660-33-7.png)
N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine
TL;DR: N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine (CAS 1173660-33-7) is a chemical compound with molecular formula C21H37N3O6 and molecular weight 427.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[4-[[[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]methyl]cyclohexanecarbonyl]amino]propanoic acid
Also Known As: N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine, (2R)-2-[[4-[[[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]methyl]cyclohexanecarbonyl]amino]propanoic acid, (R)-2-((1R,4R)-4-(((R)-2-((tert-butoxycarbonyl)amino)-3-methylbutanamido)methyl)cyclohexanecarboxamido)propanoic acid
| Molecular Formula | C21H37N3O6 |
|---|---|
| Molecular Weight | 427.27 g/mol |
| LogP | 2.0476 |
| Topological Polar Surface Area | 133.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.26825 |
| Heavy Atoms | 30 |
| Complexity | 620.72144 |
Chemical Identifiers
| CAS Number | 1173660-33-7 |
|---|---|
| SMILES | C[C@H](C(=O)O)NC(=O)C1CCC(CC1)CNC(=O)[C@@H](C(C)C)NC(=O)OC(C)(C)C |
Product Overview
N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine (CAS 1173660-33-7), with molecular formula C21H37N3O6 and molecular weight 427.27 g/mol. IUPAC: (2R)-2-[[4-[[[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]methyl]cyclohexanecarbonyl]amino]propanoic acid.
Chemical Property Profile of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine
Property Insights of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine
The XLogP value of 2.0476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine. The TPSA of 133.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine. Following Lipinski's Rule of Five, N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine?
The CAS number of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine is 1173660-33-7.
What is the molecular formula of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine?
The molecular formula of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine is C21H37N3O6.
What is the molecular weight of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine?
The molecular weight of N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine is 427.27 g/mol.
Where can I buy N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine?
You can request a quote for N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.