(2S)-2-Amino-3-[3-[(2R)-2-Amino-3-(Carboxymethylamino)-3-Oxopropyl]Sulfanyl-4,5-Dihydroxyphenyl]Propanoic Acid
[CAS# 110823-49-9]

Identification

• Name: (2S)-2-Amino-3-[3-[(2R)-2-Amino-3-(Carboxymethylamino)-3-Oxopropyl]Sulfanyl-4,5-Dihydroxyphenyl]Propanoic Acid
• Synonyms: (2S)-2-Amino-3-[3-[(2R)-2-Amino-3-(Carboxymethylamino)-3-Oxo-Propyl]Sulfanyl-4,5-Dihydroxy-Phenyl]Propanoic Acid; (2S)-2-Amino-3-[3-[[(2R)-2-Amino-3-(Carboxymethylamino)-3-Oxopropyl]Thio]-4,5-Dihydroxyphenyl]Propanoic Acid; (2S)-2-Amino-3-[3-[[(2R)-2-Amino-3-(Carboxymethylamino)-3-Keto-Propyl]Thio]-4,5-Dihydroxy-Phenyl]Propionic Acid
• Molecular Formula: C₁₄H₁₉N₃O₇S
• Molecular Weight: 373.38
• CAS Registry Number: 110823-49-9
• SMILES: [C@H](N)(CSC1=CC(=CC(=C1O)O)C[C@H](N)C(=O)O)C(=O)NCC(=O)O
• InChI: 1S/C14H19N3O7S/c15-7(14(23)24)1-6-2-9(18)12(21)10(3-6)25-5-8(16)13(22)17-4-11(19)20/h2-3,7-8,18,21H,1,4-5,15-16H2,(H,17,22)(H,19,20)(H,23,24)/t7-,8-/m0/s1
• InChIKey: BEKGUNWQTPPXTG-YUMQZZPRSA-N

Properties

• Density: 1.618g/cm³ (Cal.)
• Boiling point: 746.297°C at 760 mmHg (Cal.)
• Flash point: 405.146°C (Cal.)