(2S)-1-[(2S)-6-Amino-2-(Hydroxy-(4-Phenylbutyl)Phosphoryl)Oxyhexanoyl]-2,3-Dihydroindole-2-Carboxylic Acid
[CAS# 117085-60-6]

Identification

• Name: (2S)-1-[(2S)-6-Amino-2-(Hydroxy-(4-Phenylbutyl)Phosphoryl)Oxyhexanoyl]-2,3-Dihydroindole-2-Carboxylic Acid
• Synonyms: (2S)-1-[(2S)-6-Amino-2-(Hydroxy-(4-Phenylbutyl)Phosphoryl)Oxy-Hexanoyl]Indoline-2-Carboxylic Acid; (2S)-1-[(2S)-6-Amino-2-(Hydroxy-(4-Phenylbutyl)Phosphoryl)Oxy-1-Oxohexyl]-2-Indolinecarboxylic Acid; (2S)-1-[(2S)-6-Amino-2-(Hydroxy-(4-Phenylbutyl)Phosphoryl)Oxy-Hexanoyl]-2,3-Dihydroindole-2-Carboxylic Acid
• Molecular Formula: C₂₅H₃₃N₂O₆P
• Molecular Weight: 488.52
• CAS Registry Number: 117085-60-6
• SMILES: [C@@H]1(N(C2=C(C1)C=CC=C2)C([C@H](CCCCN)O[P](=O)(CCCCC3=CC=CC=C3)O)=O)C(=O)O
• InChI: 1S/C25H33N2O6P/c26-16-8-6-15-23(33-34(31,32)17-9-7-12-19-10-2-1-3-11-19)24(28)27-21-14-5-4-13-20(21)18-22(27)25(29)30/h1-5,10-11,13-14,22-23H,6-9,12,15-18,26H2,(H,29,30)(H,31,32)/t22-,23-/m0/s1
• InChIKey: YNBOYTXJMIRRSS-GOTSBHOMSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 761.12°C at 760 mmHg (Cal.)
• Flash point: 414.111°C (Cal.)