找化学品上960化工网!
960化工网

S-苄基-L-高半胱氨酸 | 7689-60-3

S-苄基-L-高半胱氨酸结构式图片|7689-60-3结构式图片
S-苄基-L-高半胱氨酸
S-Benzyl-L-homocysteine
7689-60-3
C11H15NO2S
225.3073
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:S-苄基-L-高半胱氨酸结构式
11736265
名称和标识符
MDL MFCD00037211
InChIKey KIPDMPPOTUGMPW-JTQLQIEISA-N
Inchi InChI=1S/C11H15NO2S/c12-10(11(13)14)6-7-15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,14)/t10-/m0/s1
SMILES C1=CC=C(C=C1)CSCCC(C(=O)O)N
别名信息
- 中文别名 -
  • S-苄基-L-高半胱氨酸
- 英文别名 -
  • S-Benzyl-L-homocysteine
  • 2-amino-4-benzylsulfanylbutanoic acid
  • Nsc164657
  • S-BENZYL-L-HOMOCYSTEINE,WHITE SOLID
  • 2-amino-3-prop-2-ynylsulfanyl-propionic acid
  • L-S-benzylhomocysteine
  • S-2-Propinyl-L-cystein
  • S-benzylhomocysteine
  • S-Prop-2-inyl-L-cystein
  • S-prop-2-ynyl-L-cysteine
  • S-propargyl-cysteine
  • S-propargyl-L-cysteine
  • S-propargyl-L-homocysteine
  • 7689-60-3
  • (S)-2-amino-4-(benzylthio)butanoic acid
  • AKOS040764517
  • CHEMBL380911
  • S-Benzyl-DL-homocysteine
  • BDBM50179713
  • (2S)-2-AMINO-4-(BENZYLSULFANYL)BUTANOIC ACID
  • SCHEMBL2829688
  • KIPDMPPOTUGMPW-JTQLQIEISA-N
物化性质
实验特性
LogP 2.42210
PSA 88.62000
折射率 1.575
沸点 403.4ºC at 760mmHg
熔点 220-223°C (dec.)
闪点 197.7ºC
溶解度 Aqueous Acid (Slightly), DMSO (Slightly)
密度 1.221g/cm3
计算特性
精确分子量 225.08200
氢键供体数量 2
氢键受体数量 4
可旋转化学键数量 6
同位素质量 225.082
重原子数量 15
复杂度 193
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) -0.9
拓扑分子极性表面积 88.6A^2
安全信息
储存条件 Refrigerator
相关文献
  • 1. 887. Some potential amino-acid antagonists and related compounds
    T. A. Connors,A. B. Mauger,Margaret A. Peutherer,W. C. J. Ross J. Chem. Soc. 1962 4601
  • 2. Reduction of benzyl sulphonyl (sulphone) intermediates to sulphinic acids. Synthesis of hypotaurine, and of L-cysteine and L-homocysteine sulphinic acids
    D. B. Hope,C. D. Morgan,M. W?lti J. Chem. Soc. C 1970 270
  • 3. Notes
    Max Frankel,David Gertner,T. C. Owen,C. M. French,E. R. Monks,C. C. Addison,J. M. Coldrey,M. E. Baldwin,T. D. Smith,R. M. Cresswell,Thomas Neilson,H. C. S. Wood,G. Newman,D. B. Powell,W. Baker,J. W. Hilpern,J. F. W. McOmie,R. Belcher,M. Sobotka,W. I. Stephen,W. von E. Doering,L. E. Helgen,J. O'Kelly,K. Sargeant,J. C. Lovie,R. H. Thomson,C. W. L. Bevan,A. J. Birch,H. Caswell J. Chem. Soc. 1961 463
  • 4. Synthesis of some dibasic sulphur-containing amino-acids related to L-lysine
    D. B. Hope,K. C. Horncastle J. Chem. Soc. C 1966 1098
  • 5. 586. Some derivatives of S-carboxyalkyl-cysteines and -homocysteines
    P. Mamalis,D. McHale,J. Green J. Chem. Soc. 1960 2906
  • 6. Biosynthesis of porphyrins and related macrocycles. Part 9. Biosynthesis of the corrin macrocycle of vitamin B12 including the stereochemistry of C-methylation in ring c
    Alan R. Battersby,Masataka Ihara,Edward McDonald,Janet R. Redfern ( née Stephenson),Bernard T. Golding J. Chem. Soc. Perkin Trans. 1 1977 158
  • 7. Polypeptides. Part IX. Variations of the methionyl position in the C-terminal tetrapeptide amide sequence of the gastrins
    J. S. Morley,J. M. Smith J. Chem. Soc. C 1968 726
  • 8. Notes
    M. P. Berry,M. C. Whiting,D. Sims,J. S. Pizey,W. E. Truce,G. B. Barlow,D. B. Hope,J. F. Humphries,R. D. Gillard,G. Wilkinson,D. Bryce-Smith,A. Gilbert,M. T. Chaudhry,G. A. Powers,R. Stephens,J. C. Tatlow,D. B. Bigley J. Chem. Soc. 1964 862
专业数据库参考
PubChemId 11736265
参考资料
Reaxys RN
960化工网为您提供S-苄基-L-高半胱氨酸专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:7689-60-3,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等
平台客服 平台客服

平台在线客服