(2S)-6-amino-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-5-yl)propanamido]hexanoic acid

• ChemBase ID: 798289
• Molecular Formular: C14H24N6O4
• Molecular Mass: 340.37816
• Monoisotopic Mass: 340.18590328
• SMILES: C(=O)([C@H](CCCCN)NC(=O)[C@H](Cc1[nH]cnc1)NC(=O)CN)O
• Canonical SMILES: NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc1[nH]cnc1)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)/t10-,11-/m0/s1
• InChIKey: MVORZMQFXBLMHM-QWRGUYRKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-6-amino-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-5-yl)propanamido]hexanoic acid
• IUPAC Traditional name: copper peptide ghk-cu
• Synonyms: (2s)-6-amino-2-(((2s)-2-((2-aminoacetyl)amino)-3-(1h-imidazol-5-yl)propanoyl)amino)hexanoic acid

Database IDs

• CAS Number: 49557-75-7

CALCULATED PROPERTIES

• Acid pKa: 3.4564185
• H Acceptors: 7
• H Donor: 6
• LogD (pH = 5.5): -8.1748
• LogD (pH = 7.4): -6.0158114
• Log P: -5.4358106
• Molar Refractivity: 85.4721 cm^3
• Polarizability: 33.497746 Å^3
• Polar Surface Area: 176.22 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%