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

• ChemBase编号: 103534
• 分子式: C29H32N4O8
• 平均质量: 564.58638
• 单一同位素质量: 564.222014
• SMILES: C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc2c(cc1)c(C)cc(=O)o2
• Canonical SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)Cc1ccccc1)C)C)CCC(=O)O
• InChI: InChI=1S/C29H32N4O8/c1-16-13-26(37)41-23-15-20(9-10-21(16)23)32-29(40)22(14-19-7-5-4-6-8-19)33-28(39)18(3)31-27(38)17(2)30-24(34)11-12-25(35)36/h4-10,13,15,17-18,22H,11-12,14H2,1-3H3,(H,30,34)(H,31,38)(H,32,40)(H,33,39)(H,35,36)/t17-,18-,22-/m0/s1
• InChIKey: HHPVJKZZYOXPLH-SPEDKVCISA-N

名称和登记号

名称

• IUPAC标准名: 3-{[(1S)-1-{[(1S)-1-{[(1S)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]-2-phenylethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid
• IUPAC传统名: 3-{[(1S)-1-{[(1S)-1-{[(1S)-1-[(4-methyl-2-oxochromen-7-yl)carbamoyl]-2-phenylethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid
• 别名: N-SUCCINYL-L-ALANYL-L-ALANYL-L-PHENYLALANINE-4-METHYL-COUMARYL-7-AMIDE; Suc-Ala-Ala-Phe-AMC; Suc-AAF-AMC; Suc-Ala-Ala-Phe-7-Amino-4-Methylcoumarin

登记号

• CAS号: 71973-79-0
• PubChem SID: 162091370
• PubChem CID: 25108614

理论计算性质

• Acid pKa: 4.0904903
• 质子受体: 7
• 质子供体: 5
• LogD (pH = 5.5): -0.23072524
• LogD (pH = 7.4): -1.9128133
• Log P: 1.1920967
• 摩尔折射率: 148.0981 cm^3
• 极化性: 56.51447 Å^3
• 极化表面积: 180.0 Å^2
• 可自由旋转的化学键: 12
• 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 - 02152080

Fluorogenic substrate

MP Biomedicals - 03AMC084

A fluorogenic substrate for Cathepsin G.

参考文献

• Lively, M.O. et al., Biochimet. Biophys. Acta., 525:171 (1978).
• Yoshida, N. et al., Biochem., 19:5799 (1980).