(2S)-2-amino-5-carbamimidamido-N-(4-methoxynaphthalen-2-yl)pentanamide

• ChemBase编号: 106543
• 分子式: C17H23N5O2
• 平均质量: 329.39682
• 单一同位素质量: 329.185175
• SMILES: COc1cc(NC(=O)[C@@H](N)CCCNC(=N)N)cc2c1cccc2
• Canonical SMILES: COc1cc(NC(=O)[C@H](CCCNC(=N)N)N)cc2c1cccc2
• InChI: InChI=1S/C17H23N5O2/c1-24-15-10-12(9-11-5-2-3-6-13(11)15)22-16(23)14(18)7-4-8-21-17(19)20/h2-3,5-6,9-10,14H,4,7-8,18H2,1H3,(H,22,23)(H4,19,20,21)/t14-/m0/s1
• InChIKey: XVHWVDFGKDNOBO-AWEZNQCLSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-amino-5-carbamimidamido-N-(4-methoxynaphthalen-2-yl)pentanamide
• IUPAC传统名: (2S)-2-amino-5-carbamimidamido-N-(4-methoxynaphthalen-2-yl)pentanamide
• 别名: Arg-MNA; R-MNA; Arg-4-Methoxy-2-Naphthylamine

登记号

• PubChem SID: 162105714
• PubChem CID: 16218937

理论计算性质

• Acid pKa: 12.967682
• 质子受体: 6
• 质子供体: 5
• LogD (pH = 5.5): -3.950411
• LogD (pH = 7.4): -2.2553766
• Log P: 0.4122818
• 摩尔折射率: 105.1138 cm^3
• 极化性: 37.12218 Å^3
• 极化表面积: 126.25 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 03MNA002

A fluorogenic/colorimetric substrate for Cathepsin H.

参考文献

• Kanaoka, Y. et al., Chem. Pharm. Bul., 25:3126 (1997).
• Rothe, M. et al., Eur. J. Biochem., 210:759 (1992).