5-carbamimidamido-N-(1-carbamoyl-2-phenylethyl)-2-{2-[(5-oxopyrrolidin-2-yl)formamido]acetamido}pentanamide

• ChemBase编号: 103857
• 分子式: C22H32N8O5
• 平均质量: 488.54008
• 单一同位素质量: 488.24956616
• SMILES: NC(=N)NCCCC(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC(Cc1ccccc1)C(=O)N
• Canonical SMILES: O=C(NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCNC(=N)N)CNC(=O)C1CCC(=O)N1
• InChI: InChI=1S/C22H32N8O5/c23-19(33)16(11-13-5-2-1-3-6-13)30-21(35)14(7-4-10-26-22(24)25)29-18(32)12-27-20(34)15-8-9-17(31)28-15/h1-3,5-6,14-16H,4,7-12H2,(H2,23,33)(H,27,34)(H,28,31)(H,29,32)(H,30,35)(H4,24,25,26)
• InChIKey: CMWHGNOBFVLNTC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-carbamimidamido-N-(1-carbamoyl-2-phenylethyl)-2-{2-[(5-oxopyrrolidin-2-yl)formamido]acetamido}pentanamide
• IUPAC传统名: 5-carbamimidamido-N-(1-carbamoyl-2-phenylethyl)-2-{2-[(5-oxopyrrolidin-2-yl)formamido]acetamido}pentanamide
• 别名: Antho-RFamide; pGlu-Gly-Arg-Phe amide acetate salt; PyroGLU-GLY-ARG-PHE AMIDE

登记号

• CAS号: 107535-01-3
• MDL号: MFCD00133753
• PubChem SID: 24898922; 162090763
• PubChem CID: 3548974

理论计算性质

• Acid pKa: 11.036199
• 质子受体: 8
• 质子供体: 8
• LogD (pH = 5.5): -5.544108
• LogD (pH = 7.4): -5.5288277
• Log P: -3.6905656
• 摩尔折射率: 135.3531 cm^3
• 极化性: 48.253613 Å^3
• 极化表面积: 221.39 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: -20°C
• 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

药理学性质

• 相关基因信息: mouse ... Nts(67405)

产品相关信息

• 纯度: ≥97% (HPLC)
• Empirical Formula (Hill Notation): C22H32N8O5

详细说明

MP Biomedicals - 02153102

A neuropeptide originally isolated from the pennatulid Renilla koellikeri and the sea anemone Anthopleura elegantissima.

Sigma Aldrich - P9799

Biochem/physiol Actions
May be a neurotransmitter at neuromuscular junctions.
Other Notes
Neuropeptide originally isolated from the pennatulid Renilla koellikeri and the sea anemone Anthopleura elegantissima

参考文献

• Grimmelikhuijzen, C.J.P. and Graff, D., Proc. Natl. Acad. Sci. USA, 83: 9817, (1986).
• Gimmelikhuijzen, C.J.P. and Gregor, A., FEBS Lett., 211: 105, (1987).