methyl 3-{[(1S)-1-{[(1S)-1-{[(1S)-1-[(4-methoxynaphthalen-2-yl)carbamoyl]-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoate

• ChemBase编号: 106572
• 分子式: C40H46N4O7
• 平均质量: 694.81584
• 单一同位素质量: 694.33664983
• SMILES: COC(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(OC)c2c(c1)cccc2
• Canonical SMILES: COC(=O)CCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)Nc1cc(OC)c2c(c1)cccc2)Cc1ccccc1)CC(C)C)Cc1ccccc1
• InChI: InChI=1S/C40H46N4O7/c1-26(2)21-32(43-40(49)33(22-27-13-7-5-8-14-27)42-36(45)19-20-37(46)51-4)39(48)44-34(23-28-15-9-6-10-16-28)38(47)41-30-24-29-17-11-12-18-31(29)35(25-30)50-3/h5-18,24-26,32-34H,19-23H2,1-4H3,(H,41,47)(H,42,45)(H,43,49)(H,44,48)/t32-,33-,34-/m0/s1
• InChIKey: PNGNMSAVHZWIIT-AFEGWXKPSA-N

名称和登记号

名称

• IUPAC标准名: methyl 3-{[(1S)-1-{[(1S)-1-{[(1S)-1-[(4-methoxynaphthalen-2-yl)carbamoyl]-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoate
• IUPAC传统名: methyl 3-{[(1S)-1-{[(1S)-1-{[(1S)-1-[(4-methoxynaphthalen-2-yl)carbamoyl]-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoate
• 别名: MeOSuc-Phe-Leu-Phe-MNA; MeOSuc-FLF-MNA; MeOSuc-Phe-Leu-Phe-4-Methoxy-2-Naphthylamine; N-Methoxysuccinyl-Phe-Leu-Phe 4-methoxy-2-naphthylamide

登记号

• MDL号: MFCD03452970
• PubChem SID: 162105591
• PubChem CID: 25108725

理论计算性质

• Acid pKa: 11.938105
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): 4.970724
• LogD (pH = 7.4): 4.970713
• Log P: 4.9707246
• 摩尔折射率: 194.3006 cm^3
• 极化性: 76.43136 Å^3
• 极化表面积: 151.93 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: solid

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: ≥90%

详细说明

MP Biomedicals - 03MNA088

A fluorogenic/colorimetric substrate for Mast Cell Protease.

Sigma Aldrich - M4938

Biochem/physiol Actions
Mitochondrial ATP-dependent protease substrate