(2S)-1-[(2S)-2-[[4-(2,3-Dihydrobenzofuran-2-Yl)-1-Ethoxycarbonyl-Butyl]Amino]Propanoyl]Pyrrolidine-2-Carboxylic Acid
[CAS# 84768-09-2]

Identification

• Name: (2S)-1-[(2S)-2-[[4-(2,3-Dihydrobenzofuran-2-Yl)-1-Ethoxycarbonyl-Butyl]Amino]Propanoyl]Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[(2S)-2-[[4-(2,3-Dihydrobenzofuran-2-Yl)-1-Ethoxycarbonyl-Butyl]Amino]Propanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-2-[[4-(2,3-Dihydrobenzofuran-2-Yl)-1-Ethoxycarbonylbutyl]Amino]-1-Oxopropyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-2-[[1-Carbethoxy-4-(2,3-Dihydrobenzofuran-2-Yl)Butyl]Amino]Propanoyl]Proline
• Molecular Formula: C₂₃H₃₂N₂O₆
• Molecular Weight: 432.52
• CAS Registry Number: 84768-09-2
• SMILES: [C@@H]3(N(C(=O)[C@@H](NC(C(OCC)=O)CCCC1OC2=C(C1)C=CC=C2)C)CCC3)C(=O)O
• InChI: 1S/C23H32N2O6/c1-3-30-23(29)18(10-6-9-17-14-16-8-4-5-12-20(16)31-17)24-15(2)21(26)25-13-7-11-19(25)22(27)28/h4-5,8,12,15,17-19,24H,3,6-7,9-11,13-14H2,1-2H3,(H,27,28)/t15-,17?,18?,19-/m0/s1
• InChIKey: HTBXOXWJOIKINE-RXQRSOPUSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 617.837°C at 760 mmHg (Cal.)
• Flash point: 327.456°C (Cal.)