(2S)-2-Amino-3-[5-[5-[(2S)-2-Amino-3-Hydroxy-3-Oxopropyl]-1-Methylimidazol-4-Yl]Disulfanyl-3-Methylimidazol-4-Yl]Propanoic Acid
[CAS# 73491-33-5]

Identification

• Name: (2S)-2-Amino-3-[5-[5-[(2S)-2-Amino-3-Hydroxy-3-Oxopropyl]-1-Methylimidazol-4-Yl]Disulfanyl-3-Methylimidazol-4-Yl]Propanoic Acid
• Synonyms: (2S)-2-Amino-3-[5-[5-[(2S)-2-Amino-3-Hydroxy-3-Oxo-Propyl]-1-Methyl-Imidazol-4-Yl]Disulfanyl-3-Methyl-Imidazol-4-Yl]Propanoic Acid; (2S)-2-Amino-3-[5-[[5-[(2S)-2-Amino-3-Hydroxy-3-Oxopropyl]-1-Methyl-4-Imidazolyl]Disulfanyl]-3-Methyl-4-Imidazolyl]Propanoic Acid; (2S)-2-Amino-3-[5-[5-[(2S)-2-Amino-3-Hydroxy-3-Keto-Propyl]-1-Methyl-Imidazol-4-Yl]Disulfanyl-3-Methyl-Imidazol-4-Yl]Propionic Acid
• Molecular Formula: C₁₄H₂₀N₆O₄S₂
• Molecular Weight: 400.47
• CAS Registry Number: 73491-33-5
• SMILES: [C@H](C(=O)O)(N)CC2=C(SSC1=C(C[C@@H](C(=O)O)N)[N](C=N1)C)N=C[N]2C
• InChI: 1S/C14H20N6O4S2/c1-19-5-17-11(9(19)3-7(15)13(21)22)25-26-12-10(20(2)6-18-12)4-8(16)14(23)24/h5-8H,3-4,15-16H2,1-2H3,(H,21,22)(H,23,24)/t7-,8-/m0/s1
• InChIKey: NRGVZXSKWPQYMK-YUMQZZPRSA-N

Properties

• Density: 1.656g/cm³ (Cal.)
• Boiling point: 744.391°C at 760 mmHg (Cal.)
• Flash point: 403.993°C (Cal.)