6-amino-2-[2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]hexanoic acid

• ChemBase ID: 103863
• Molecular Formular: C14H24N6O4
• Molecular Mass: 340.37816
• Monoisotopic Mass: 340.18590328
• SMILES: NCCCCC(NC(=O)C(Cc1c[nH]cn1)NC(=O)CN)C(=O)O
• Canonical SMILES: NCCCCC(C(=O)O)NC(=O)C(Cc1nc[nH]c1)NC(=O)CN
• InChI: InChI=1S/C14H24N6O4/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24)
• InChIKey: MVORZMQFXBLMHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2-[2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]hexanoic acid
• IUPAC Traditional name: 6-amino-2-[2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]hexanoic acid
• Synonyms: LCGF; H₂N-Gly-His-Lys-OH; LIVER CELL GROWTH FACTOR

Database IDs

• CAS Number: 72957-37-0
• EC Number: 277-125-4
• PubChem SID: 162103309
• PubChem CID: 342538

CALCULATED PROPERTIES

• Acid pKa: 3.4565256
• H Acceptors: 7
• H Donor: 6
• LogD (pH = 5.5): -8.09167
• LogD (pH = 7.4): -5.6680193
• Log P: -5.1000714
• Molar Refractivity: 84.9064 cm^3
• Polarizability: 33.497776 Å^3
• Polar Surface Area: 176.22 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

REFERENCES

• Pickart, L., et al., Biochem. Biophys. Res. Commun., 54: 562, (1973).