Methyl (2S)-2-[[(2S)-2-Acetamido-4-Methylpentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoate
[CAS# 32450-39-8]

Identification

• Name: Methyl (2S)-2-[[(2S)-2-Acetamido-4-Methylpentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoate
• Synonyms: Methyl (2S)-2-[[(2S)-2-Acetamido-4-Methyl-Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoate; (2S)-2-[[(2S)-2-Acetamido-4-Methyl-1-Oxopentyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid Methyl Ester; (2S)-2-[[(2S)-2-Acetamido-4-Methyl-Pentanoyl]Amino]-3-(4-Hydroxyphenyl)Propionic Acid Methyl Ester
• Molecular Formula: C₁₈H₂₆N₂O₅
• Molecular Weight: 350.41
• CAS Registry Number: 32450-39-8
• SMILES: [C@H](C(=O)OC)(NC([C@@H](NC(=O)C)CC(C)C)=O)CC1=CC=C(O)C=C1
• InChI: 1S/C18H26N2O5/c1-11(2)9-15(19-12(3)21)17(23)20-16(18(24)25-4)10-13-5-7-14(22)8-6-13/h5-8,11,15-16,22H,9-10H2,1-4H3,(H,19,21)(H,20,23)/t15-,16-/m0/s1
• InChIKey: BYQMHXVANSDKIG-HOTGVXAUSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 609.708°C at 760 mmHg (Cal.)
• Flash point: 322.54°C (Cal.)