2-[2-[(6-Hydroxy-6-Oxohexyl)Amino]-2-Oxo-1-[(2-Phenylacetyl)Amino]Ethyl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylic Acid
[CAS# 2642-55-9]

Identification

• Name: 2-[2-[(6-Hydroxy-6-Oxohexyl)Amino]-2-Oxo-1-[(2-Phenylacetyl)Amino]Ethyl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylic Acid
• Synonyms: 2-[2-[(6-Hydroxy-6-Oxo-Hexyl)Amino]-2-Oxo-1-[(2-Phenylacetyl)Amino]Ethyl]-5,5-Dimethyl-Thiazolidine-4-Carboxylic Acid; 2-[2-[(6-Hydroxy-6-Oxohexyl)Amino]-2-Oxo-1-[(1-Oxo-2-Phenylethyl)Amino]Ethyl]-5,5-Dimethyl-4-Thiazolidinecarboxylic Acid; 2-[2-[(6-Hydroxy-6-Keto-Hexyl)Amino]-2-Keto-1-[(2-Phenylacetyl)Amino]Ethyl]-5,5-Dimethyl-Thiazolidine-4-Carboxylic Acid
• Molecular Formula: C₂₂H₃₁N₃O₆S
• Molecular Weight: 465.56
• CAS Registry Number: 2642-55-9
• SMILES: C1=CC=CC=C1CC(NC(C2SC(C(N2)C(=O)O)(C)C)C(=O)NCCCCCC(=O)O)=O
• InChI: 1S/C22H31N3O6S/c1-22(2)18(21(30)31)25-20(32-22)17(19(29)23-12-8-4-7-11-16(27)28)24-15(26)13-14-9-5-3-6-10-14/h3,5-6,9-10,17-18,20,25H,4,7-8,11-13H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)(H,30,31)
• InChIKey: KJABUVRFCPPJPD-UHFFFAOYSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 824.012°C at 760 mmHg (Cal.)
• Flash point: 452.146°C (Cal.)