alpha-Amino-2-[(2-Amino-2-Carboxyethyl)Thio]-1H-Indole-3-Propionic Acid
[CAS# 550-94-7]

Identification

• Name: alpha-Amino-2-[(2-Amino-2-Carboxyethyl)Thio]-1H-Indole-3-Propionic Acid
• Synonyms: (2S)-2-Amino-3-[2-(2-Amino-3-Hydroxy-3-Oxo-Propyl)Sulfanyl-1H-Indol-3-Yl]Propanoic Acid; (2S)-2-Amino-3-[2-[(2-Amino-3-Hydroxy-3-Oxopropyl)Thio]-1H-Indol-3-Yl]Propanoic Acid; (2S)-2-Amino-3-[2-[(2-Amino-3-Hydroxy-3-Keto-Propyl)Thio]-1H-Indol-3-Yl]Propionic Acid
• Molecular Formula: C₁₄H₁₇N₃O₄S
• Molecular Weight: 323.37
• CAS Registry Number: 550-94-7
• SMILES: [C@H](C(=O)O)(N)CC1=C([NH]C2=CC=CC=C12)SCC(C(=O)O)N
• InChI: 1S/C14H17N3O4S/c15-9(13(18)19)5-8-7-3-1-2-4-11(7)17-12(8)22-6-10(16)14(20)21/h1-4,9-10,17H,5-6,15-16H2,(H,18,19)(H,20,21)/t9-,10?/m0/s1
• InChIKey: MGVCAXMLCYZGFI-RGURZIINSA-N

Properties

• Density: 1.518g/cm³ (Cal.)
• Boiling point: 628.995°C at 760 mmHg (Cal.)
• Flash point: 334.204°C (Cal.)