Aspartyl-Alanyl-Histidine-N-Methylamide
[CAS# 66277-14-3]

Identification

• Name: Aspartyl-Alanyl-Histidine-N-Methylamide
• Synonyms: (3S)-3-Amino-4-[[(1S)-2-[[(2S)-3-(3H-Imidazol-4-Yl)-2-Methylamino-Propanoyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-Amino-4-[[(1S)-2-[[(2S)-3-(3H-Imidazol-4-Yl)-2-Methylamino-1-Oxopropyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-Amino-4-[[(1S)-2-[[(2S)-3-(3H-Imidazol-4-Yl)-2-Methylamino-Propanoyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₁₄H₂₂N₆O₅
• Molecular Weight: 354.37
• CAS Registry Number: 66277-14-3
• SMILES: [C@H](NC)(CC1=CN=C[NH]1)C(=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C
• InChI: 1S/C14H22N6O5/c1-7(19-13(24)9(15)4-11(21)22)12(23)20-14(25)10(16-2)3-8-5-17-6-18-8/h5-7,9-10,16H,3-4,15H2,1-2H3,(H,17,18)(H,19,24)(H,21,22)(H,20,23,25)/t7-,9-,10-/m0/s1
• InChIKey: ASXVIMLMKBBXCK-HGNGGELXSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 772.06°C at 760 mmHg (Cal.)
• Flash point: 420.727°C (Cal.)