(2S)-2-amino-4-methyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)pentanamide hydrochloride

• ChemBase编号: 133913
• 分子式: C16H21ClN2O3
• 平均质量: 324.80254
• 单一同位素质量: 324.12407022
• SMILES: Cc1cc(=O)oc2c1ccc(c2)NC(=O)[C@H](CC(C)C)N.Cl
• Canonical SMILES: CC(C[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N)C.Cl
• InChI: InChI=1S/C16H20N2O3.ClH/c1-9(2)6-13(17)16(20)18-11-4-5-12-10(3)7-15(19)21-14(12)8-11;/h4-5,7-9,13H,6,17H2,1-3H3,(H,18,20);1H/t13-;/m0./s1
• InChIKey: VCRXITKKWBOQRZ-ZOWNYOTGSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-amino-4-methyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)pentanamide hydrochloride
• IUPAC传统名: (2S)-2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide hydrochloride
• 别名: L-亮氨酸 7-酰胺基-4-甲基香豆素 盐酸盐; 1,2-二软酯酰基蛋黄素 盐酸盐; L-Leucine 7-amido-4-methylcoumarin hydrochloride; L-Leucine-(4-methyl-7-coumarinylamide) hydrochloride; L-Leucine-4-methyl-7-coumarinylamide hydrochloride; L-Leucine-4-methylumbelliferylamide hydrochloride; Leu-AMC; L-Leucine 7-amido-4-methyl coumarin hydrochloride; L-Leucine-7-amido-4-methylcoumarin hydrochloride

登记号

• CAS号: 62480-44-8
• MDL号: MFCD00043262
• Beilstein号: 1258699
• PubChem SID: 24882177; 24896303; 162228190
• PubChem CID: 2733202

理论计算性质

• Acid pKa: 13.047167
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.36337495
• LogD (pH = 7.4): 1.2959193
• Log P: 2.2192092
• 摩尔折射率: 82.2208 cm^3
• 极化性: 31.310612 Å^3
• 极化表面积: 81.42 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 283 °C (dec.)(lit.)
• 比旋光度: [α]20/D +54°, c = 1 in ethanol; [α]20/D +62.0±2.0°, c = 1% in methanol
• 荧光: λex 325 nm; λem 397 nm in 0.1 M Tris pH 8.0; λex 327 nm; λem 349 nm (pH 8.0); λex 380 nm; λem 440 nm (after digestion with leucine aminopeptidase); λex 380 nm; λem 440 nm (Reaction product)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ≥99.0% (HPLC); 99%
• 级别: for fluorescence
• Empirical Formula (Hill Notation): C16H20N2O3 · HCl

详细说明

Sigma Aldrich - 61888

Other Notes
Fluorogenic substrate for leucine aminopeptidase1