2-[[(2S)-1-[[(2S)-4-Methyl-1-Oxo-1-(Phenylamino)Pentan-2-Yl]Amino]-1-Oxo-4-Phenylbutan-2-Yl]Amino]Propanoic Acid
[CAS# 154096-58-9]

Identification

• Name: 2-[[(2S)-1-[[(2S)-4-Methyl-1-Oxo-1-(Phenylamino)Pentan-2-Yl]Amino]-1-Oxo-4-Phenylbutan-2-Yl]Amino]Propanoic Acid
• Synonyms: 2-[[(1S)-1-[[(1S)-3-Methyl-1-(Phenylcarbamoyl)Butyl]Carbamoyl]-3-Phenyl-Propyl]Amino]Propanoic Acid; 2-[[(1S)-1-[[[(1S)-3-Methyl-1-[Oxo-(Phenylamino)Methyl]Butyl]Amino]-Oxomethyl]-3-Phenylpropyl]Amino]Propanoic Acid; 2-[[(1S)-1-[[(1S)-3-Methyl-1-(Phenylcarbamoyl)Butyl]Carbamoyl]-3-Phenyl-Propyl]Amino]Propionic Acid
• Molecular Formula: C₂₅H₃₃N₃O₄
• Molecular Weight: 439.55
• CAS Registry Number: 154096-58-9
• SMILES: [C@H](C(=O)NC1=CC=CC=C1)(NC([C@@H](NC(C)C(=O)O)CCC2=CC=CC=C2)=O)CC(C)C
• InChI: 1S/C25H33N3O4/c1-17(2)16-22(24(30)27-20-12-8-5-9-13-20)28-23(29)21(26-18(3)25(31)32)15-14-19-10-6-4-7-11-19/h4-13,17-18,21-22,26H,14-16H2,1-3H3,(H,27,30)(H,28,29)(H,31,32)/t18?,21-,22-/m0/s1
• InChIKey: DLCYKLDSIUJNLE-VRJTXETASA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 713.752°C at 760 mmHg (Cal.)
• Flash point: 385.463°C (Cal.)