(2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-3-methylbutanamido]-4-methylpentanamido]-N-(4-methyl-2-oxo-2H-chromen-7-yl)hexanamide

• ChemBase编号: 106424
• 分子式: C27H41N5O5
• 平均质量: 515.64494
• 单一同位素质量: 515.31076944
• SMILES: CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc2c(c1)oc(=O)cc2C
• Canonical SMILES: NCCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)[C@@H](NC(=O)[C@@H](C(C)C)N)CC(C)C
• InChI: InChI=1S/C27H41N5O5/c1-15(2)12-21(32-27(36)24(29)16(3)4)26(35)31-20(8-6-7-11-28)25(34)30-18-9-10-19-17(5)13-23(33)37-22(19)14-18/h9-10,13-16,20-21,24H,6-8,11-12,28-29H2,1-5H3,(H,30,34)(H,31,35)(H,32,36)/t20-,21-,24+/m0/s1
• InChIKey: NMAUGTNXBOFHCJ-AWRGLXIESA-N

名称和登记号

名称

• IUPAC标准名: (2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-3-methylbutanamido]-4-methylpentanamido]-N-(4-methyl-2-oxo-2H-chromen-7-yl)hexanamide
• IUPAC传统名: (2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-3-methylbutanamido]-4-methylpentanamido]-N-(4-methyl-2-oxochromen-7-yl)hexanamide
• 别名: D-Val-Leu-Lys-AMC; D-VLK-AMC; D-Val-Leu-Lys-7-Amino-4-Methylcoumarin; D-Val-Leu-Lys 7-amido-4-methylcoumarin

登记号

• MDL号: MFCD00038828
• PubChem SID: 162105450
• PubChem CID: 25108613

理论计算性质

• Acid pKa: 12.123871
• 质子受体: 6
• 质子供体: 5
• LogD (pH = 5.5): -3.6666148
• LogD (pH = 7.4): -1.5748847
• Log P: 1.9017657
• 摩尔折射率: 143.1234 cm^3
• 极化性: 55.528507 Å^3
• 极化表面积: 165.64 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: lyophilized powder

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: ≥99% (HPLC)
• Mol. Weight: apparent mol wt 744

详细说明

MP Biomedicals - 03AMC081

HYGROSCOPIC. A fluorogenic substrate for Plasmin.

Sigma Aldrich - V3138

Biochem/physiol Actions
Plasmin, tissue plasminogen activator substrate

参考文献

• Calvin, S.A. et al., Anal, Biochem., 80:355 (1977).
• Kato, H. et al., Biochem., 88:183 (1980).