(2S)-2-[2-(2-aminoacetamido)acetamido]-4-carbamoylbutanoic acid

• ChemBase编号: 169698
• 分子式: C9H16N4O5
• 平均质量: 260.24714
• 单一同位素质量: 260.11206963
• SMILES: N(C(=O)CNC(=O)CN)[C@@H](CCC(=O)N)C(=O)O
• Canonical SMILES: NCC(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)N
• InChI: InChI=1S/C9H16N4O5/c10-3-7(15)12-4-8(16)13-5(9(17)18)1-2-6(11)14/h5H,1-4,10H2,(H2,11,14)(H,12,15)(H,13,16)(H,17,18)/t5-/m0/s1
• InChIKey: QPTNELDXWKRIFX-YFKPBYRVSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-[2-(2-aminoacetamido)acetamido]-4-carbamoylbutanoic acid
• IUPAC传统名: (2S)-2-[2-(2-aminoacetamido)acetamido]-4-carbamoylbutanoic acid
• 别名: 371: PN: WO2005124342 SEQID: 578 Claimed Protein; 38: PN: WO03012122 SEQID:; Glycylglycyl-L-glutamine

登记号

• CAS号: 186787-32-6
• PubChem SID: 162263830
• PubChem CID: 7019370

理论计算性质

• Acid pKa: 3.416887
• 质子受体: 6
• 质子供体: 5
• LogD (pH = 5.5): -6.213805
• LogD (pH = 7.4): -6.335401
• Log P: -6.2158103
• 摩尔折射率: 58.7169 cm^3
• 极化性: 23.238817 Å^3
• 极化表面积: 164.61 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - G718450

This enzyme can catalyze peptide-forming reactions not only to produce various dipeptides from the corresponding amino acid esters and amino acids but also to produce various oligopeptides from the corresponding amino acid esters and peptides.

参考文献

• Hayashi, R., et al.: J. Biochem., 77, 69 (1975)
• Hansler, M., et al.: J. Pept. Sci., 2, 279 (1975)
• Sugihara, A., et al.: J. Biochem., 131, 247 (1975)