(2S)-2-{[(2S)-1-{2-[(2S)-2-[3-(furan-2-yl)prop-2-enamido]-4-methylpentanamido]acetyl}pyrrolidin-2-yl]formamido}propanoic acid

• ChemBase编号: 133803
• 分子式: C23H32N4O7
• 平均质量: 476.52278
• 单一同位素质量: 476.22709938
• SMILES: C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccco1
• Canonical SMILES: CC(C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C)NC(=O)/C=C/c1ccco1)C
• InChI: InChI=1S/C23H32N4O7/c1-14(2)12-17(26-19(28)9-8-16-6-5-11-34-16)21(30)24-13-20(29)27-10-4-7-18(27)22(31)25-15(3)23(32)33/h5-6,8-9,11,14-15,17-18H,4,7,10,12-13H2,1-3H3,(H,24,30)(H,25,31)(H,26,28)(H,32,33)/b9-8+/t15-,17-,18-/m0/s1
• InChIKey: ZLFQNOJSYZSINX-PVJKAEHXSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-{[(2S)-1-{2-[(2S)-2-[3-(furan-2-yl)prop-2-enamido]-4-methylpentanamido]acetyl}pyrrolidin-2-yl]formamido}propanoic acid; (2S)-2-{[(2S)-1-{2-[(2S)-2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4-methylpentanamido]acetyl}pyrrolidin-2-yl]formamido}propanoic acid
• IUPAC传统名: (2S)-2-{[(2S)-1-{2-[(2S)-2-[3-(furan-2-yl)prop-2-enamido]-4-methylpentanamido]acetyl}pyrrolidin-2-yl]formamido}propanoic acid; (2S)-2-{[(2S)-1-{2-[(2S)-2-[(2E)-3-(furan-2-yl)prop-2-enamido]-4-methylpentanamido]acetyl}pyrrolidin-2-yl]formamido}propanoic acid
• 别名: FALGPA; N-[3-(2-Furyl)acryloyl]-L-leucyl-glycyl-L-prolyl-L-alanine; N-[3-(2-Furyl)acryloyl]-Leu-Gly-Pro-Ala

登记号

• CAS号: 78832-65-2
• MDL号: MFCD00133552
• PubChem SID: 162228080
• PubChem CID: 6439513

理论计算性质

• Acid pKa: 3.8029933
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): -1.6916479
• LogD (pH = 7.4): -3.253028
• Log P: 0.008268407
• 摩尔折射率: 121.5092 cm^3
• 极化性: 46.79571 Å^3
• 极化表面积: 158.05 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: methanol: soluble50 mg/mL, clear, faintly yellow

安全信息

• 德国WGK号: 3
• 安全公开号: 22-24/25
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

药理学性质

• 相关基因信息: mouse ... Prkcq(18761)

产品相关信息

• 纯度: ≥90% peptide basis; ≥99.0% (HPLC)
• 适用性: in accordance for amino acid analysis
• 杂质: ≤1% water
• Empirical Formula (Hill Notation): C23H32N4O7

详细说明

Sigma Aldrich - F5135

Amino Acid Sequence
FA-Leu-Gly-Pro-Ala
Substrates
Substrate for collagenase.

Sigma Aldrich - 48173

Amino Acid Sequence
FA-Leu-Gly-Pro-Ala
Other Notes
Substrate for the continuous spectrophotometric assay of Cl. histolyticum collagenase1