5-carbamimidamido-2-[5-carbamimidamido-2-(2-{2-[5-carbamimidamido-2-(2,6-diaminohexanamido)pentanamido]-3-hydroxybutanamido}-4-methylpentanamido)pentanamido]pentanoic acid

• ChemBase编号: 131960
• 分子式: C34H68N16O8
• 平均质量: 829.00612
• 单一同位素质量: 828.54060322
• SMILES: CC(C)CC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)N
• Canonical SMILES: NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)C(O)C)CCCNC(=N)N)N
• InChI: InChI=1S/C34H68N16O8/c1-18(2)17-24(29(55)47-21(10-6-14-43-32(37)38)27(53)48-23(31(57)58)12-8-16-45-34(41)42)49-30(56)25(19(3)51)50-28(54)22(11-7-15-44-33(39)40)46-26(52)20(36)9-4-5-13-35/h18-25,51H,4-17,35-36H2,1-3H3,(H,46,52)(H,47,55)(H,48,53)(H,49,56)(H,50,54)(H,57,58)(H4,37,38,43)(H4,39,40,44)(H4,41,42,45)
• InChIKey: QUJRRXNRGVULBH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-carbamimidamido-2-[5-carbamimidamido-2-(2-{2-[5-carbamimidamido-2-(2,6-diaminohexanamido)pentanamido]-3-hydroxybutanamido}-4-methylpentanamido)pentanamido]pentanoic acid
• IUPAC传统名: 5-carbamimidamido-2-[5-carbamimidamido-2-(2-{2-[5-carbamimidamido-2-(2,6-diaminohexanamido)pentanamido]-3-hydroxybutanamido}-4-methylpentanamido)pentanamido]pentanoic acid
• 别名: Lys-Arg-Thr-Leu-Arg-Arg trifluoroacetate salt

登记号

• CAS号: 121284-21-7
• MDL号: MFCD00214414
• PubChem SID: 24896531; 162226237
• PubChem CID: 4177958

理论计算性质

• Acid pKa: 3.467425
• 质子受体: 19
• 质子供体: 18
• LogD (pH = 5.5): -17.47744
• LogD (pH = 7.4): -15.358497
• Log P: -7.5487537
• 摩尔折射率: 244.21 cm^3
• 极化性: 82.84552 Å^3
• 极化表面积: 440.77 Å^2
• 可自由旋转的化学键: 30
• 里宾斯基五规则: false

分子性质

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: ≥97% (HPLC)
• 主要成分: Peptide content, ~60%; Peptide content, ≥60%

详细说明

Sigma Aldrich - L9905

Biochem/physiol Actions
Protein kinase C substrate derived from EGF receptor

Sigma Aldrich - L7897

Biochem/physiol Actions
Protein kinase C substrate derived from EGF receptor