57448-85-8 ((D-Histidine,N-L-alanyl- (9CI))

快速询单

结构式：

D-Histidine,N-L-alanyl- (9CI)MOL文件

CAS号：

57448-85-8

英文名称：

D-Histidine,N-L-alanyl- (9CI)

分子式：

C₉H₁₄N₄O₃

分子量：

226.232461452484

D-Histidine,N-L-alanyl- (9CI)(57448-85-8)名称与标识符

名称

英文别名：

D-Histidine,N-L-alanyl- (9CI);Z-L-LYSINE P-NITROANILIDE;H-beta-Ala-His-OH;l-Alanyl-d-histidine;SCHEMBL1229751;FT-0774005;N-(2-Aminopropanoyl)histidine #;57448-85-8;Alanylhistidine;NSC-89607;6491-15-2;EINECS 221-845-3;N-L-Alanyl-L-histidine;DTXSID30901839;XZWXFWBHYRFLEF-UHFFFAOYSA-N;NSC89607;

标识符

InChIKey：

XZWXFWBHYRFLEF-UHFFFAOYSA-N

Inchi：

1S/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)

SMILES：

OC(C(CC1=CN=CN1)NC(C(C)N)=O)=O

D-Histidine,N-L-alanyl- (9CI)(57448-85-8)物化性质

实验特性

LogP : -0.04000
PSA : 121.10000

计算特性

精确分子量 : 226.10700
氢键供体数量 : 4
氢键受体数量 : 5
可旋转化学键数量 : 5
同位素质量 : 226.10659032g/mol
重原子数量 : 16
复杂度 : 272
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 : 2
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） : -3.5
拓扑分子极性表面积 : 121Å²

D-Histidine,N-L-alanyl- (9CI)(57448-85-8)相关文献

1. Thermodynamics of formation of complexes of copper(II) and nickel(II) ions with glycylhistidine, β-alanylhistidine, and histidylglycine
Glenn Brookes,Leslie D. Pettit J. Chem. Soc. Dalton Trans. 1975 2112
2. Proton transfer from heterocyclic compounds. Part 11. Histidine, histamine, N-acetylhistidine, and histidine-containing peptides
John A. Elvidge,John R. Jones,Rawa Salih,Mowafak Shandala,Spencer E. Taylor J. Chem. Soc. Perkin Trans. 2 1980 447
3. Natural abundance nitrogen-15 nuclear magnetic resonance spectroscopy. Medium effects on the nitrogen-15 chemical shifts of small peptides
Daniela Gattegno,Geoffrey E. Hawkes,Edward W. Randall J. Chem. Soc. Perkin Trans. 2 1976 1527
4. Molecular and supramolecular features of oxo-peroxovanadium complexes containing O3N, O2N2 and ON3 donor sets
Marian ?asny,Dieter Rehder Dalton Trans. 2004 839
5. Racemic vanadium(v) oxo monoperoxo complexes with two achiral bidentate heteroligands. Synthesis, characterization, crystal structure and stereochemistry of K[VO(O2)(ox)(bpy)]·3H2O and Pr4N[VO(O2)(ox)(phen)]
Jozef Tatiersky,Peter Schwendt,Jaromír Marek,Michal Sivák New J. Chem. 2004 28 127
6. Organic chemistry
J. Chem. Soc. Abstr. 1911 100 i761
7. Multinuclear NMR and potentiometric study on tautomerism during protonation and zinc(II) complex formation of some imidazole-containing peptide derivatives
Tamas Gajda,Bernard Henry,Jean-Jacques Delpuech J. Chem. Soc. Perkin Trans. 2 1994 157
8. Complexes of copper(II) ion with histamine-containing dipeptides: formation constants and structure
Tamas Gajda,Bernard Henry,Jean-Jacques Delpuech J. Chem. Soc. Dalton Trans. 1993 1301
9. Obituary notices: George Barger, 1878–1939; Edward Richards Bolton, 1879–1939; John Thomas Dunn, 1859–1939; William Setten Gilles, 1876–1938; Francis Wood Hardy, 1892–1939; William Edward Kay, 1855–1938; Arthur William Knapp, 1881–1939; Cyril Alec Lawrence, 1912–1938; Alfred Courtenay Luck, 1866–1938; Stevenson John Charles George Macadam, 1865–1939; Kendall Morgan Madigan, 1909–1938; Emile Mond, 1865–1938; Charles Edward Munroe, 1849–1938; Hubert Naylor Bardsley Richardson, 1865–1938; Harcourt Henry Benjamin Shepherd, 1854–1939; Thomas Stevenson, 1864–1938; Alfred Edwin Howard Tutton, 1864–1938; Dennis Tyrrell, 1866–1938
C. R. Harington,Bernard Dyer,H. Charles L. Bloxam,F. F. Renwick,G. W. Kendall,F. O. Ashmore,J. R. Johnson,J. W. Cook,C. H. Desch,George Z. Dupain,Emile Bucher,Charles S. Gibson,R. V. Wheeler,J. R. E. Richardson,A. Lauder,W. A. N. Tyrrell J. Chem. Soc. 1939 715
10. Organic chemistry
J. Chem. Soc. Abstr. 1918 114 i421

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