Acetyl-Alanyl-Alanyl-Prolyl-(N-Methyl)Phenylalaninamide
[CAS# 151657-05-5]

Identification

• Name: Acetyl-Alanyl-Alanyl-Prolyl-(N-Methyl)Phenylalaninamide
• Synonyms: (2S)-1-[(2S)-2-[[(2S)-2-Acetamidopropanoyl]Amino]Propanoyl]-N-[(2S)-2-Methylamino-3-Phenyl-Propanoyl]Pyrrolidine-2-Carboxamide; (2S)-1-[(2S)-2-[[(2S)-2-Acetamido-1-Oxopropyl]Amino]-1-Oxopropyl]-N-[(2S)-2-Methylamino-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinecarboxamide; Ac-Ala-Ala-Pro-Phe-Nh-Me
• Molecular Formula: C₂₃H₃₃N₅O₅
• Molecular Weight: 459.54
• CAS Registry Number: 151657-05-5
• SMILES: [C@@H]1(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)C)C)CCC1)C(=O)NC(=O)[C@@H](NC)CC2=CC=CC=C2
• InChI: 1S/C23H33N5O5/c1-14(25-16(3)29)20(30)26-15(2)23(33)28-12-8-11-19(28)22(32)27-21(31)18(24-4)13-17-9-6-5-7-10-17/h5-7,9-10,14-15,18-19,24H,8,11-13H2,1-4H3,(H,25,29)(H,26,30)(H,27,31,32)/t14-,15-,18-,19-/m0/s1
• InChIKey: PSQOQMIVDQOZSR-LNMJFAINSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 789.316°C at 760 mmHg (Cal.)
• Flash point: 431.163°C (Cal.)