L-亮氨酸-L-丙氨酸

L-Leucyl-L-alanine

HCID 81721CAS 7298-84-2

基本信息

标准SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)O
InChIKey: HSQGMTRYSIHDAC-BQBZGAKWSA-N
分子式: C9H18N2O3
平均分子量: 202.25 g/mol
单同位素质量: 202.13174244

概述

Leu-Ala is a dipeptide composed of L-leucine and L-alanine joined by a peptide linkage. It has a role as a metabolite. It is functionally related to a L-leucine and a L-alanine.

名称与标识

首选名称: L-Leucyl-L-alanine
IUPAC: (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoic acid
中文名: L-亮氨酸-L-丙氨酸
英文名: L-Leucyl-L-alanine
分子式: C9H18N2O3
分子量: 202.25

名称与别名

L-Leucyl-L-alanine7298-84-2Leu-alaLeucyl-alanineLeucylalanineL-Alanine, L-leucyl-L-Alanine, N-L-leucyl-Alanine, N-L-leucyl-, L-M5Z5KX9GYZCHEBI:73527DTXSID60884368NSC-89180

展开更多名称

亮氨酰-丙氨酸L-亮氨酰-丙氨酸L-亮氨酸-L-丙氨酸L-白氨酰-L-丙氨酸L-亮氨酰-L-丙胺酸L-亮氨酰-L-丙氨酸L-亮氨酰-L-丙胺酸水合物L-白氨酰-L-丙氨酸(水合)LEU-ALA-OH 化学试剂L -亮氨酰- L -丙氨酸水合物Leu-Ala-OHNSC 89180L-Leu-L-Ala-OHLeucyl-L-alanineLeu-Ala hydrateL-Leucyl-L-alanin

RefChem:798997(2S)-2-(((2S)-2-amino-4-methylpentanoyl)amino)propanoic acidDTXCID601023813230-737-5(2S)-2-(((2S)-2-azaniumyl-4-methylpentanoyl)amino)propanoateH-Leu-Ala-OH(S)-2-((S)-2-Amino-4-methylpentanamido)propanoic acidL-Leucyl-L-alanine hydrate

数据库标识

CAS: 7298-84-2
PubChem CID: 81721
DTXSID: DTXSID60884368
ChEMBL: CHEMBL541207
ChEBI: CHEBI:73527
UNII: M5Z5KX9GYZ
EC Number: 230-737-5
Nikkaji: J81.361C

性质

结构计算性质

XLogP: -2.8
极性表面积: 92.4 Å²
氢键供体: 3
氢键受体: 4
可旋转键: 5
重原子: 14
形式电荷: 0
复杂度: 216

实验与物化性质

Chemical ClassesBiological Agents -> Amino Acids and Derivatives

LogP-2.13

Physical Description · 2 条

White powder; [Sigma-Aldrich MSDS]

Solid

Collision Cross Section148.09 Å² [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学性质

熔点: 255 · 255-256 °C (decomp)
沸点: 409.7 · 409.7±30.0 °C(Predicted)
密度: 1.108 · 1.108±0.06 g/cm3(Predicted)
折射率: 19 ° · 19 ° (C=5, MeOH)
储存条件: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解度: 100 · Water:100.0(Max Conc. mg/mL);494.43(Max Conc. mM)
酸度系数(pKa): 3.16 · 3.16±0.10(Predicted)
形态: Solid
颜色: White to off-white
BRN: 1726165 · 1726165
InChI: InChI=1S/C9H18N2O3/c1-5(2)4-7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1
InChIKey: HSQGMTRYSIHDAC-BQBZGAKWSA-N
SMILES: C(O)(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N
CAS 数据库: 7298 · 7298-84-2(CAS DataBase Reference)
EPA化学物质信息: L-Alanine, L-leucyl- (7298-84-2)

安全与法规

危害信息

Hazards SummaryMay cause irritation; May cause skin sensitization (based on QSAR modeling); [Sigma-Aldrich MSDS] Search for 7298-84-2 AND (allergic OR dermatitis OR sensitizer OR sensitization OR sensitisation) = no results; [PubMed]

安全数据

F: 3-10
wgk: 3
tsca: TSCA listed
存储类别: 11 - Combustible Solids

化学与工业

用途与制造

General Manufacturing InformationL-Alanine, L-leucyl-: ACTIVE

试剂价格

HY-128434R · 10 mg: L-亮氨酸-L-丙氨酸L-Leucyl-L-alanine (Standard) — 370元
HY-128434R · 25 mg: L-亮氨酸-L-丙氨酸L-Leucyl-L-alanine (Standard) — 670元

供应商50 家

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北强耀生物科技有限公司18301728382 · [email protected]

江苏生康迈翔科技有限公司18217475093 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

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