(2S)-2-(2-Hydroxy-3,5-Dimethylphenyl)-2-[3-[[(1S)-2-Hydroxy-1-(2-Hydroxy-3,5-Dimethylphenyl)-2-Oxoethyl]Amino]Propylamino]Acetic Acid
[CAS# 132750-98-2]

Identification

• Name: (2S)-2-(2-Hydroxy-3,5-Dimethylphenyl)-2-[3-[[(1S)-2-Hydroxy-1-(2-Hydroxy-3,5-Dimethylphenyl)-2-Oxoethyl]Amino]Propylamino]Acetic Acid
• Synonyms: (2S)-2-(2-Hydroxy-3,5-Dimethyl-Phenyl)-2-[3-[[(1S)-2-Hydroxy-1-(2-Hydroxy-3,5-Dimethyl-Phenyl)-2-Oxo-Ethyl]Amino]Propylamino]Acetic Acid; (2S)-2-(2-Hydroxy-3,5-Dimethyl-Phenyl)-2-[3-[[(1S)-2-Hydroxy-1-(2-Hydroxy-3,5-Dimethyl-Phenyl)-2-Keto-Ethyl]Amino]Propylamino]Acetic Acid; (2S)-2-(2-Hydroxy-3,5-Dimethyl-Phenyl)-2-[3-[[(1S)-2-Hydroxy-1-(2-Hydroxy-3,5-Dimethyl-Phenyl)-2-Oxo-Ethyl]Amino]Propylamino]Ethanoic Acid
• Molecular Formula: C₂₃H₃₀N₂O₆
• Molecular Weight: 430.50
• CAS Registry Number: 132750-98-2
• SMILES: [C@H](NCCCN[C@@H](C1=CC(=CC(=C1O)C)C)C(=O)O)(C2=CC(=CC(=C2O)C)C)C(=O)O
• InChI: 1S/C23H30N2O6/c1-12-8-14(3)20(26)16(10-12)18(22(28)29)24-6-5-7-25-19(23(30)31)17-11-13(2)9-15(4)21(17)27/h8-11,18-19,24-27H,5-7H2,1-4H3,(H,28,29)(H,30,31)/t18-,19-/m0/s1
• InChIKey: OJVWNIOUUIQEBC-OALUTQOASA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 643.541°C at 760 mmHg (Cal.)
• Flash point: 343.001°C (Cal.)