(2S)-2-Amino-5-[[(2R)-2-Amino-3-[3-Hydroxy-1-(3H-Imidazol-4-Yl)-3-Oxopropyl]Sulfanylpropanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
[CAS# 134381-44-5]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-2-Amino-3-[3-Hydroxy-1-(3H-Imidazol-4-Yl)-3-Oxopropyl]Sulfanylpropanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(2R)-2-Amino-3-[3-Hydroxy-1-(3H-Imidazol-4-Yl)-3-Oxo-Propyl]Sulfanyl-Propanoyl]-(Carboxymethyl)Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-[[3-Hydroxy-1-(3H-Imidazol-4-Yl)-3-Oxopropyl]Thio]-1-Oxopropyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-[[3-Hydroxy-1-(3H-Imidazol-4-Yl)-3-Keto-Propyl]Thio]Propanoyl]-(Carboxymethyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₆H₂₃N₅O₈S
• Molecular Weight: 445.45
• CAS Registry Number: 134381-44-5
• SMILES: [C@H](N)(CSC(CC(O)=O)C1=CN=C[NH]1)C(=O)N(C(=O)CC[C@H](N)C(O)=O)CC(O)=O
• InChI: 1S/C16H23N5O8S/c17-8(16(28)29)1-2-12(22)21(5-14(25)26)15(27)9(18)6-30-11(3-13(23)24)10-4-19-7-20-10/h4,7-9,11H,1-3,5-6,17-18H2,(H,19,20)(H,23,24)(H,25,26)(H,28,29)/t8-,9-,11?/m0/s1
• InChIKey: LISSZDOYKZVZMS-HBEAOTSJSA-N

Properties

• Density: 1.571g/cm³ (Cal.)
• Boiling point: 847.485°C at 760 mmHg (Cal.)
• Flash point: 466.342°C (Cal.)