3-{[(1S)-1-{[(1S)-2-(4-hydroxyphenyl)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]ethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid

• ChemBase编号: 106434
• 分子式: C29H33N3O8
• 平均质量: 551.58762
• 单一同位素质量: 551.22676503
• SMILES: CC(C)C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)Nc1ccc2c(c1)oc(=O)cc2C
• Canonical SMILES: CC(C[C@@H](C(=O)N[C@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)Cc1ccc(cc1)O)NC(=O)CCC(=O)O)C
• InChI: InChI=1S/C29H33N3O8/c1-16(2)12-22(31-25(34)10-11-26(35)36)29(39)32-23(14-18-4-7-20(33)8-5-18)28(38)30-19-6-9-21-17(3)13-27(37)40-24(21)15-19/h4-9,13,15-16,22-23,33H,10-12,14H2,1-3H3,(H,30,38)(H,31,34)(H,32,39)(H,35,36)/t22-,23-/m0/s1
• InChIKey: RIYLNECMTVNMSO-GOTSBHOMSA-N

名称和登记号

名称

• IUPAC标准名: 3-{[(1S)-1-{[(1S)-2-(4-hydroxyphenyl)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]ethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid
• IUPAC传统名: 3-{[(1S)-1-{[(1S)-2-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)carbamoyl]ethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid
• 别名: Suc-Leu-Tyr-AMC; Suc-LY-AMC; Suc-Leu-Tyr-7-Amino-4-Methylcoumarin

登记号

• CAS号: 94367-20-1
• PubChem SID: 162087319
• PubChem CID: 25108624

理论计算性质

• Acid pKa: 4.3265214
• 质子受体: 7
• 质子供体: 5
• LogD (pH = 5.5): 1.4793577
• LogD (pH = 7.4): -0.26776293
• Log P: 2.6791606
• 摩尔折射率: 146.4552 cm^3
• 极化性: 55.885635 Å^3
• 极化表面积: 171.13 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 03AMC117

A fluorogenic substrate for the quantitative determination of Calpain Isozymes I, Calpain Isozymes II and E. Coli Protease Ti. Also suitable for measuring the peptidase activity of the 20S proteasome. Typical concentrations range from 10 - 100 μM, depending on assay conditions. PROTECT FROM LIGHT. PROTECT FROM MOISTURE.
Excitation max.: ~380 nm
Emission max.: ~460 nm

参考文献

• Sasaki, T. et al., J. Biol. Chem., 259:12489 (1984).
• Woo, K.M. et al., J. Biol. Chem., 264:2088 (1989).
• Seol, J.H., et al. 1989. FEBS Lett. 247, 197.