(3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

• ChemBase ID: 134413
• Molecular Formular: C53H67N9O17
• Molecular Mass: 1102.14918
• Monoisotopic Mass: 1101.46549173
• SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)N
• Canonical SMILES: Oc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)O)CC(=O)O)C(C)C)CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)N
• InChI: InChI=1S/C53H67N9O17/c1-27(2)44(52(77)62-21-5-7-41(62)50(75)59-38(25-42(66)67)47(72)56-36(45(70)55-28(3)53(78)79)23-30-10-16-33(64)17-11-30)60-48(73)39(26-43(68)69)57-46(71)37(24-31-12-18-34(65)19-13-31)58-49(74)40-6-4-20-61(40)51(76)35(54)22-29-8-14-32(63)15-9-29/h8-19,27-28,35-41,44,63-65H,4-7,20-26,54H2,1-3H3,(H,55,70)(H,56,72)(H,57,71)(H,58,74)(H,59,75)(H,60,73)(H,66,67)(H,68,69)(H,78,79)/t28-,35-,36-,37-,38-,39-,40-,41-,44-/m0/s1
• InChIKey: HVLSXIKZNLPZJJ-TXZCQADKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
• IUPAC Traditional name: (3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-carboxypropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid
• Synonyms: Anti-HA; HA tag peptide; HA1 fragment 98-106; Tyr-Pro-Tyr-Asp-Val-Pro-Asp-Tyr-Ala; Influenza Hemagglutinin (HA) Peptide

Database IDs

• CAS Number: 92000-76-5
• MDL Number: MFCD01310914
• PubChem SID: 162228689
• PubChem CID: 10235423

CALCULATED PROPERTIES

• Acid pKa: 3.100037
• H Acceptors: 18
• H Donor: 13
• LogD (pH = 5.5): -6.244281
• LogD (pH = 7.4): -9.601757
• Log P: -3.243745
• Molar Refractivity: 275.1208 cm^3
• Polarizability: 107.441025 Å^3
• Polar Surface Area: 413.83 Å^2
• Rotatable Bonds: 26
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥97% (HPLC)
• Mol. Weight: mol wt 1102.15 Da

DETAILS

Sigma Aldrich - I2149

Preparation Note
Dissolve in water to a concentration of 5 mg/mL.
Application
Suitable for use in immunoblotting and when used to elute HA-tagged fusionj proteins from an affinity column of Monoclonal Anti-HA agarose.
General description
Influenza Hemagglutinin (HA) peptide is a synthetic peptide with an amino acid sequence of N-Tyr-Pro-Tyr-Asp-Val-Pro-Asp-Tyr-Ala-C. This corresponds to amino acids 98-106 of the human influenza virus hemagglutinin. The HA Peptide is used for competing out the anti-HA antibody binding to HA-tagged fusion proteins in immunoassays.