452-95-9 (2-氨基-4-（甲基磺酰基）丁酸乙酯,ethyl 2-amino-4-(methylsulfanyl)butanoate)

快速询单

结构式：

2-氨基-4-（甲基磺酰基）丁酸乙酯MOL文件

CAS号：

452-95-9

中文名称：

2-氨基-4-（甲基磺酰基）丁酸乙酯

英文名称：

ethyl 2-amino-4-(methylsulfanyl)butanoate

分子式：

C₇H₁₅NO₂S

分子量：

177.2645008564

2-氨基-4-（甲基磺酰基）丁酸乙酯(452-95-9)名称与标识符

名称

英文别名：

Methionine, ethyl ester;ethyl DL-methionate;ethyl 2-amino-4-(methylsulfanyl)butanoate;ethyl 2-amino-4-methylsulfanylbutanoate;AKOS009157015;SCHEMBL113611;EN300-223338;Ethyl 2-amino-4-(methylsulfanyl)butanoate #;EThyl DL-methioninate;D,L-Methionine-ethyl ester;452-95-9;2-Amino-4-methylthiobutyric acid, ethyl ester;

标识符

MDL：

MFCD02662960

InChIKey：

ARJXIGOIOGJAKR-UHFFFAOYSA-N

Inchi：

1S/C7H15NO2S/c1-3-10-7(9)6(8)4-5-11-2/h6H,3-5,8H2,1-2H3

SMILES：

S(C)CCC(C(=O)OCC)N

2-氨基-4-（甲基磺酰基）丁酸乙酯(452-95-9)物化性质

计算特性

精确分子量 : 177.08234989g/mol
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 6
同位素质量 : 177.08234989g/mol
重原子数量 : 11
复杂度 : 119
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.6
拓扑分子极性表面积 : 77.6Å²

2-氨基-4-（甲基磺酰基）丁酸乙酯(452-95-9)相关文献

1. Synthesis of oligopeptides having alternate L-leucyl and L-methionyl residues
Ryoichi Katakai,Yohko Nakayama J. Chem. Soc. Perkin Trans. 1 1977 292
2. Free radical one-electron versus hydroxyl radical-induced oxidation. Reaction of trichloromethylperoxyl radicals with simple and substituted aliphatic sulphides in aqueous solution
J?rg M?nig,Manfred G?bl,Klaus-Dieter Asmus J. Chem. Soc. Perkin Trans. 2 1985 647
3. S∴N and S∴O three-electron-bonded radicals and radical cations in aqueous solutions
Klaus-Dieter Asmus,Manfred G?bl,Karl-Otmar Hiller,Sabine Mahling,J?rg M?nig J. Chem. Soc. Perkin Trans. 2 1985 641
4. Synthesis of sequential polypeptides containing L-isoleucine for assignment of the far-i.r. band characteristic of isoleucyl in a peptide α-helix
Ryoichi Katakai,Yasuko Lizuka J. Chem. Soc. Perkin Trans. 1 1985 765
5. The relation between potential energy and interatomic distance in some diatomic molecules
J. W. Linnett Trans. Faraday Soc. 1940 36 1123
6. The vapour pressure and orthobaric density of nitrous oxide
D. Cook Trans. Faraday Soc. 1953 49 716
7. 182. The synthesis of α-amino-acids. Part I. dl-Methionine
E. Booth,V. C. E. Burnop,W. E. Jones J. Chem. Soc. 1944 666
8. Reactive acyl dipeptides as potential penicillin analogues. Part I. α-(Acylaminosuccinimido)-carboxylic acids
M. J. Mardle,J. H. C. Nayler,D. W. Rustidge,H. R. J. Waddington J. Chem. Soc. C 1968 237
9. Formation of the dinuclear iron–nitrosyl complex [Fe2(SMe)2(NO)4] by incorporation of SMe groups from methionine in reactions with iron(II) salts and nitrite
Anthony R. Butler,Christopher Glidewell,Sheila M. Glidewell J. Chem. Soc. Chem. Commun. 1992 141
10. Catalytic asymmetric synthesis of diazabicyclo[3.1.0]hexanes by 1,3-dipolar cycloaddition of azomethine ylides with azirines
Alba Molina,Sergio Díaz-Tendero,Javier Adrio,Juan C. Carretero Chem. Commun. 2020 56 5050