(2S)-5-carbamimidamido-N-(4-nitrophenyl)-2-(phenylformamido)pentanamide hydrochloride

• ChemBase编号: 132959
• 分子式: C19H23ClN6O4
• 平均质量: 434.87672
• 单一同位素质量: 434.14693093
• SMILES: c1ccc(cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc(cc1)[N+](=O)[O-].Cl
• Canonical SMILES: O=C([C@@H](NC(=O)c1ccccc1)CCCNC(=N)N)Nc1ccc(cc1)[N+](=O)[O-].Cl
• InChI: InChI=1S/C19H22N6O4.ClH/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29;/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22);1H/t16-;/m0./s1
• InChIKey: DEOKFPFLXFNAON-NTISSMGPSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-5-carbamimidamido-N-(4-nitrophenyl)-2-(phenylformamido)pentanamide hydrochloride
• IUPAC传统名: (2S)-5-carbamimidamido-N-(4-nitrophenyl)-2-(phenylformamido)pentanamide hydrochloride
• 别名: L-BAPA; L-BAPNA; BANI; Nα-Benzoyl-L-arginine 4-nitroanilide hydrochloride

登记号

• CAS号: 21653-40-7
• EC号: 244-505-6
• MDL号: MFCD00063682
• Beilstein号: 4081878
• PubChem SID: 162227236; 24891685; 24891697
• PubChem CID: 16219022

理论计算性质

• Acid pKa: 12.744373
• 质子受体: 7
• 质子供体: 5
• LogD (pH = 5.5): -0.8570593
• LogD (pH = 7.4): -0.8536151
• Log P: 1.233468
• 摩尔折射率: 119.6394 cm^3
• 极化性: 39.926006 Å^3
• 极化表面积: 165.92 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 223-226 °C
• 比旋光度: [α]20/D +12±2°, c = 1% in ethanol

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

产品相关信息

• 纯度: >98% (TLC); ≥98.0% (enzymatic); ≥99% (TLC)
• 适用性: suitable for substrate for trypsin
• Empirical Formula (Hill Notation): C19H22N6O4 · HCl

详细说明

Sigma Aldrich - B3279

Substrates
Chromogenic substrate for trypsin and other proteolytic enzymes.

Sigma Aldrich - B3133

Linkage
Similar to B3279, but produced for Sigma.
Substrates
Chromogenic substrate for trypsin and other proteolytic enzymes.

Sigma Aldrich - 12915

Application
suitable as substrate for trypsin
Other Notes
Chromogenic substrate for the assay of trypsin1; papain2; bromelain3
Substrates
Chromogenic substrate for trypsin and other proteolytic enzymes.