(2S)-2-Amino-3-(4-Hydroxy-2,6-Dimethylphenyl)-N-[(2R)-2-(3-Phenylpropylamino)Propanoyl]Propanamide
[CAS# 123689-66-7]

Identification

• Name: (2S)-2-Amino-3-(4-Hydroxy-2,6-Dimethylphenyl)-N-[(2R)-2-(3-Phenylpropylamino)Propanoyl]Propanamide
• Synonyms: (2S)-2-Amino-3-(4-Hydroxy-2,6-Dimethyl-Phenyl)-N-[(2R)-2-(3-Phenylpropylamino)Propanoyl]Propanamide; (2S)-2-Amino-3-(4-Hydroxy-2,6-Dimethylphenyl)-N-[(2R)-1-Oxo-2-(3-Phenylpropylamino)Propyl]Propanamide; (2S)-2-Amino-3-(4-Hydroxy-2,6-Dimethyl-Phenyl)-N-[(2R)-2-(3-Phenylpropylamino)Propanoyl]Propionamide
• Molecular Formula: C₂₃H₃₁N₃O₃
• Molecular Weight: 397.52
• CAS Registry Number: 123689-66-7
• SMILES: [C@@H](C(=O)NC([C@@H](N)CC1=C(C=C(O)C=C1C)C)=O)(NCCCC2=CC=CC=C2)C
• InChI: 1S/C23H31N3O3/c1-15-12-19(27)13-16(2)20(15)14-21(24)23(29)26-22(28)17(3)25-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,17,21,25,27H,7,10-11,14,24H2,1-3H3,(H,26,28,29)/t17-,21+/m1/s1
• InChIKey: MXTDWSHESHEEEY-UTKZUKDTSA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 621.066°C at 760 mmHg (Cal.)
• Flash point: 329.409°C (Cal.)