N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸
TL;DR: N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸 (CAS 77543-03-4) is a chemical compound with molecular formula C21H31N3O6S and molecular weight 453.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸
(2S)-2-[2-aminobutanoyl-[(2S)-2-formamido-4-methyl-4-methylsulfinylpentanoyl]amino]-3-phenylpropanoic acid
Also Known As: Fmoxlp, Nfmslp, N-Fmet-sulfoxide-leu-phe, N-Formylmethionyl sulfoxide-leucyl-phenylalanine, (2S)-2-[2-aminobutanoyl-[(2S)-2-formamido-4-methyl-4-methylsulfinylpentanoyl]amino]-3-phenylpropanoic acid
| Molecular Formula | C21H31N3O6S |
|---|---|
| Molecular Weight | 453.19 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 453.19336 |
| Heavy Atoms | 31 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 77543-03-4 |
|---|---|
| SMILES | CCC(C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)[C@H](CC(C)(C)S(=O)C)NC=O)N |
| InChIKey | JMSPMIMCBHKADC-ARDZTWQQSA-N |
Product Overview
N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸 (CAS 77543-03-4), with molecular formula C21H31N3O6S and molecular weight 453.19 g/mol. IUPAC: (2S)-2-[2-aminobutanoyl-[(2S)-2-formamido-4-methyl-4-methylsulfinylpentanoyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸
Property Insights of N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸
The XLogP value of -1.7 indicates that N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸 has 3 hydrogen bond donor(s) and 8 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-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸?
The CAS number of N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸 is 77543-03-4.
What is the molecular formula of N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸?
The molecular formula of N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸 is C21H31N3O6S.
What is the molecular weight of N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸?
The molecular weight of N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸 is 453.19 g/mol.
Where can I buy N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸?
You can request a quote for N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸?
Yes, KEHONG BIO provides custom synthesis services for N-甲酰甲硫氨酰亚砜-亮氨酰-苯丙氨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.