(2S)-2-{[(2S)-4-(Benzyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoyl]amino}-3-phenylpropanoic acid
[CAS# 68763-45-1]

Identification

• Name: (2S)-2-{[(2S)-4-(Benzyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoyl]amino}-3-phenylpropanoic acid
• Synonyms: BOC-ASP(OBZL)-PHE-OH
• Molecular Formula: C₂₅H₃₀N₂O₇
• Molecular Weight: 470.51
• CAS Registry Number: 68763-45-1
• SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O
• InChI: 1S/C25H30N2O7/c1-25(2,3)34-24(32)27-19(15-21(28)33-16-18-12-8-5-9-13-18)22(29)26-20(23(30)31)14-17-10-6-4-7-11-17/h4-13,19-20H,14-16H2,1-3H3,(H,26,29)(H,27,32)(H,30,31)/t19-,20-/m0/s1
• InChIKey: WXJAWCWMJPACSL-PMACEKPBSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 711.4±60.0°C at 760 mmHg (Cal.)
• Flash point: 384.1±32.9°C (Cal.)