(2S)-2-Amino-3-[2-[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Sulfanyl-3H-Imidazol-4-Yl]Propanoic Acid
[CAS# 77504-36-0]

Identification

• Name: (2S)-2-Amino-3-[2-[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Sulfanyl-3H-Imidazol-4-Yl]Propanoic Acid
• Synonyms: (2S)-2-Amino-3-[2-[(2R)-2-Amino-3-Hydroxy-3-Oxo-Propyl]Sulfanyl-3H-Imidazol-4-Yl]Propanoic Acid; (2S)-2-Amino-3-[2-[[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Thio]-3H-Imidazol-4-Yl]Propanoic Acid; (2S)-2-Amino-3-[2-[[(2R)-2-Amino-3-Hydroxy-3-Keto-Propyl]Thio]-3H-Imidazol-4-Yl]Propionic Acid
• Molecular Formula: C₉H₁₄N₄O₄S
• Molecular Weight: 274.29
• CAS Registry Number: 77504-36-0
• SMILES: [C@H](N)(CC1=CN=C(SC[C@H](N)C(O)=O)[NH]1)C(O)=O
• InChI: 1S/C9H14N4O4S/c10-5(7(14)15)1-4-2-12-9(13-4)18-3-6(11)8(16)17/h2,5-6H,1,3,10-11H2,(H,12,13)(H,14,15)(H,16,17)/t5-,6-/m0/s1
• InChIKey: FCRXZCXRHDQWHP-WDSKDSINSA-N

Properties

• Density: 1.589g/cm³ (Cal.)
• Boiling point: 608.551°C at 760 mmHg (Cal.)
• Flash point: 321.84°C (Cal.)