(2S)-2-[[(2S)-1-[2-[(Hydroxy-(2-Phenylethyl)Phosphoryl)Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoic Acid
[CAS# 130365-59-2]

Identification

• Name: (2S)-2-[[(2S)-1-[2-[(Hydroxy-(2-Phenylethyl)Phosphoryl)Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoic Acid
• Synonyms: (2S)-2-[[[(2S)-1-[2-[(Hydroxy-(2-Phenylethyl)Phosphoryl)Amino]-1-Oxoethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Hexanoic Acid; (2S)-2-[[(2S)-1-[2-[(Hydroxy-(2-Phenylethyl)Phosphoryl)Amino]Ethanoyl]Pyrrolidin-2-Yl]Carbonylamino]Hexanoic Acid; N-(Phenylethylphosphonyl)-Glycyl-Prolyl-Aminohexanoic Acid
• Molecular Formula: C₂₁H₃₂N₃O₆P
• Molecular Weight: 453.47
• CAS Registry Number: 130365-59-2
• SMILES: [C@H](C(=O)O)(NC([C@H]1N(CCC1)C(CN[P](=O)(CCC2=CC=CC=C2)O)=O)=O)CCCC
• InChI: 1S/C21H32N3O6P/c1-2-3-10-17(21(27)28)23-20(26)18-11-7-13-24(18)19(25)15-22-31(29,30)14-12-16-8-5-4-6-9-16/h4-6,8-9,17-18H,2-3,7,10-15H2,1H3,(H,23,26)(H,27,28)(H2,22,29,30)/t17-,18-/m0/s1
• InChIKey: PPOSVBCPHUZTKB-ROUUACIJSA-N

Properties

• Density: 1.285g/cm³ (Cal.)