[(2S)-2-Amino-3-[[(E)-4-Methoxy-4-Oxobut-2-Enoyl]Amino]Propanoyl] (2S)-2-Aminopentanoate
[CAS# 108340-69-8]

Identification

• Name: [(2S)-2-Amino-3-[[(E)-4-Methoxy-4-Oxobut-2-Enoyl]Amino]Propanoyl] (2S)-2-Aminopentanoate
• Synonyms: [(2S)-2-Amino-3-[[(E)-4-Methoxy-4-Oxo-But-2-Enoyl]Amino]Propanoyl] (2S)-2-Aminopentanoate; (2S)-2-Aminopentanoic Acid [(2S)-2-Amino-3-[[(E)-4-Methoxy-1,4-Dioxobut-2-Enyl]Amino]-1-Oxopropyl] Ester; (2S)-2-Aminovaleric Acid [(2S)-2-Amino-3-[[(E)-4-Keto-4-Methoxy-But-2-Enoyl]Amino]Propanoyl] Ester
• Molecular Formula: C₁₃H₂₁N₃O₆
• Molecular Weight: 315.33
• CAS Registry Number: 108340-69-8
• SMILES: [C@@H](N)(C(OC(=O)[C@@H](N)CCC)=O)CNC(=O)\C=C\C(OC)=O
• InChI: 1S/C13H21N3O6/c1-3-4-8(14)12(19)22-13(20)9(15)7-16-10(17)5-6-11(18)21-2/h5-6,8-9H,3-4,7,14-15H2,1-2H3,(H,16,17)/b6-5+/t8-,9-/m0/s1
• InChIKey: UIRYEXFXYYEJGD-MUNZNRDXSA-N

Properties

• Density: 1.237g/cm³ (Cal.)
• Boiling point: 504.761°C at 760 mmHg (Cal.)
• Flash point: 259.07°C (Cal.)