(2S)-1-[(2S)-2-[[(2S)-1-Hydroxy-1,5-Dioxo-5-(Phenylamino)Pentan-2-Yl]Amino]Propanoyl]Pyrrolidine-2-Carboxylic Acid
[CAS# 110351-42-3]

Identification

• Name: (2S)-1-[(2S)-2-[[(2S)-1-Hydroxy-1,5-Dioxo-5-(Phenylamino)Pentan-2-Yl]Amino]Propanoyl]Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[(2S)-2-[[(1S)-1-Carboxy-4-Oxo-4-(Phenylamino)Butyl]Amino]Propanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-2-[[(1S)-1-Carboxy-4-Oxo-4-(Phenylamino)Butyl]Amino]-1-Oxopropyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-2-[[(1S)-1-Carboxy-4-Keto-4-(Phenylamino)Butyl]Amino]Propanoyl]Proline
• Molecular Formula: C₁₉H₂₅N₃O₆
• Molecular Weight: 391.42
• CAS Registry Number: 110351-42-3
• SMILES: [C@H]1(C(=O)O)N(CCC1)C([C@@H](N[C@@H](CCC(NC2=CC=CC=C2)=O)C(=O)O)C)=O
• InChI: 1S/C19H25N3O6/c1-12(17(24)22-11-5-8-15(22)19(27)28)20-14(18(25)26)9-10-16(23)21-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,20H,5,8-11H2,1H3,(H,21,23)(H,25,26)(H,27,28)/t12-,14-,15-/m0/s1
• InChIKey: WURJETPEVFGNGA-QEJZJMRPSA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 738.077°C at 760 mmHg (Cal.)
• Flash point: 400.174°C (Cal.)