(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenylpropanoyl]Amino]Propanoyl]Amino]Hexanoic Acid
[CAS# 107889-42-9]

Identification

• Name: (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenylpropanoyl]Amino]Propanoyl]Amino]Hexanoic Acid
• Synonyms: (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]Propanoyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]-1-Oxopropyl]Amino]Hexanoic Acid; Phe-Ala-Lys
• Molecular Formula: C₁₈H₂₈N₄O₄
• Molecular Weight: 364.44
• CAS Registry Number: 107889-42-9
• SMILES: [C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)(C(=O)N[C@H](C(=O)O)CCCCN)C
• InChI: 1S/C18H28N4O4/c1-12(16(23)22-15(18(25)26)9-5-6-10-19)21-17(24)14(20)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11,19-20H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t12-,14-,15-/m0/s1
• InChIKey: ULECEJGNDHWSKD-QEJZJMRPSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 697.439°C at 760 mmHg (Cal.)
• Flash point: 375.598°C (Cal.)