2-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid

• ChemBase编号: 105950
• 分子式: C15H23N5O4
• 平均质量: 337.37422
• 单一同位素质量: 337.17500424
• SMILES: NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)O
• Canonical SMILES: NC(=N)NCCCC(C(=O)O)NC(=O)C(Cc1ccc(cc1)O)N
• InChI: InChI=1S/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(14(23)24)2-1-7-19-15(17)18/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)
• InChIKey: JXNRXNCCROJZFB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid
• IUPAC传统名: 2-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid
• 别名: Tyr-Arg; KYOTORPHIN

登记号

• CAS号: 70904-56-2
• PubChem SID: 162092638
• PubChem CID: 2932

理论计算性质

• Acid pKa: 3.5237994
• 质子受体: 8
• 质子供体: 7
• LogD (pH = 5.5): -4.7110515
• LogD (pH = 7.4): -3.0166602
• Log P: -2.4775443
• 摩尔折射率: 97.8204 cm^3
• 极化性: 33.828503 Å^3
• 极化表面积: 174.55 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: 0°C

详细说明

MP Biomedicals - 02195268

When administered intracisternally to mice, this dipeptide has about 4.2-fold more analgesic potency than met-enkephalin; it promotes the release of met-enkephalin.

参考文献

• Fournie-Zaluski, M.C., et al., Biochem. Biophys. Res. Commun. , 91 : 130, (1979).
• Takagi, H., et al., Nature , 282 : 410, (1979).