Phenyloxyacetyl-leucyl-valyl-phenylalanine methyl ester
[CAS# 90829-95-1]

Identification

• Name: Phenyloxyacetyl-leucyl-valyl-phenylalanine methyl ester
• Synonyms: Methyl (2S)-2-[[(2S)-3-Methyl-2-[[(2S)-4-Methyl-2-[[2-(Phenoxy)Acetyl]Amino]Pentanoyl]Amino]Butanoyl]Amino]-3-Phenyl-Propanoate; (2S)-2-[[(2S)-3-Methyl-2-[[(2S)-4-Methyl-1-Oxo-2-[[1-Oxo-2-(Phenoxy)Ethyl]Amino]Pentyl]Amino]-1-Oxobutyl]Amino]-3-Phenylpropano
• Molecular Formula: C₂₉H₃₉N₃O₆
• Molecular Weight: 525.64
• CAS Registry Number: 90829-95-1
• SMILES: [C@H](C(=O)OC)(NC([C@@H](NC([C@@H](NC(=O)COC1=CC=CC=C1)CC(C)C)=O)C(C)C)=O)CC2=CC=CC=C2
• InChI: 1S/C29H39N3O6/c1-19(2)16-23(30-25(33)18-38-22-14-10-7-11-15-22)27(34)32-26(20(3)4)28(35)31-24(29(36)37-5)17-21-12-8-6-9-13-21/h6-15,19-20,23-24,26H,16-18H2,1-5H3,(H,30,33)(H,31,35)(H,32,34)/t23-,24-,26-/m0/s1
• InChIKey: YBYLTYACMBPKLH-GNKBHMEESA-N

Properties

• Density: 1.139g/cm³ (Cal.)
• Boiling point: 773.197°C at 760 mmHg (Cal.)
• Flash point: 421.414°C (Cal.)