(2S)-1-[2-[[(2S)-2-(Benzoylamino)Propanoyl]Amino]Acetyl]Pyrrolidine-2-Carboxylic Acid
[CAS# 113384-94-4]

Identification

• Name: (2S)-1-[2-[[(2S)-2-(Benzoylamino)Propanoyl]Amino]Acetyl]Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[1-Oxo-2-[[(2S)-1-Oxo-2-[(Oxo-Phenylmethyl)Amino]Propyl]Amino]Ethyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[2-[[(2S)-2-(Benzoylamino)Propanoyl]Amino]Acetyl]Proline; (2S)-1-[2-[[(2S)-2-(Phenylcarbonylamino)Propanoyl]Amino]Ethanoyl]Pyrrolidine-2-Carboxylic Acid
• Molecular Formula: C₁₇H₂₁N₃O₅
• Molecular Weight: 347.37
• CAS Registry Number: 113384-94-4
• SMILES: [C@H]1(C(=O)O)N(CCC1)C(CNC([C@@H](NC(C2=CC=CC=C2)=O)C)=O)=O
• InChI: 1S/C17H21N3O5/c1-11(19-16(23)12-6-3-2-4-7-12)15(22)18-10-14(21)20-9-5-8-13(20)17(24)25/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,18,22)(H,19,23)(H,24,25)/t11-,13-/m0/s1
• InChIKey: NXZCTGNKKMVOBS-AAEUAGOBSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 741.541°C at 760 mmHg (Cal.)
• Flash point: 402.27°C (Cal.)