(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-5-carbamimidamidopentanamido]hexanamido]hexanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

• ChemBase编号: 153233
• 分子式: C64H118N32O14
• 平均质量: 1559.82772
• 单一同位素质量: 1558.95052662
• SMILES: c1cc(ccc1C[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N)O
• Canonical SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CCCNC(=N)N)CCCCN
• InChI: InChI=1S/C64H118N32O14/c65-25-3-1-11-39(89-50(101)38(13-5-27-81-59(69)70)88-48(99)34-87-49(100)37(67)33-35-19-21-36(97)22-20-35)51(102)90-40(12-2-4-26-66)52(103)91-41(14-6-28-82-60(71)72)53(104)92-43(16-8-30-84-62(75)76)55(106)95-45(23-24-47(68)98)57(108)94-42(15-7-29-83-61(73)74)54(105)93-44(17-9-31-85-63(77)78)56(107)96-46(58(109)110)18-10-32-86-64(79)80/h19-22,37-46,97H,1-18,23-34,65-67H2,(H2,68,98)(H,87,100)(H,88,99)(H,89,101)(H,90,102)(H,91,103)(H,92,104)(H,93,105)(H,94,108)(H,95,106)(H,96,107)(H,109,110)(H4,69,70,81)(H4,71,72,82)(H4,73,74,83)(H4,75,76,84)(H4,77,78,85)(H4,79,80,86)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
• InChIKey: RAVVEEJGALCVIN-AGVBWZICSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-5-carbamimidamidopentanamido]hexanamido]hexanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
• IUPAC传统名: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-5-carbamimidamidopentanamido]hexanamido]hexanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
• 别名: HIV-1 Tat Protein (47-57)

登记号

• CAS号: 191936-91-1
• MDL号: MFCD07366706
• PubChem SID: 162247372
• PubChem CID: 25080835

理论计算性质

• Acid pKa: 3.4674058
• 质子受体: 35
• 质子供体: 34
• LogD (pH = 5.5): -28.794525
• LogD (pH = 7.4): -28.351858
• Log P: -14.1791315
• 摩尔折射率: 463.3691 cm^3
• 极化性: 154.65813 Å^3
• 极化表面积: 841.08 Å^2
• 可自由旋转的化学键: 58
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: deionized water: soluble
• 外观: lyophilized powder

安全信息

• 德国WGK号: nwg
• 保存温度: -20°C

产品相关信息

• 生物来源: from synthetic
• 运输包装: dry ice
• Empirical Formula (Hill Notation): C64H118N32O14

详细说明

Sigma Aldrich - H0292

Amino Acid Sequence
Tyr-Gly-Arg-Lys-Lys-Arg-Arg-Gln-Arg-Arg-Arg
Biochem/physiol Actions
Synthetic peptide that includes the sequence responsible for the cellular uptake of the human immunodeficiency virus-1 Tat protein, consisting of the polycationic region 49-57. The peptide is part of the protein transduction domain (PTD) and was shown to enable the introduction of nucleic acids into cells.
Physical form
Lyophilized from 0.1% aqueous trifluoroacetate (TFA).