Methyl (2S)-2-[[(2S)-2-[[(2S)-2-Formamido-4-Methoxybutanoyl]Amino]-4-Methylpentanoyl]Amino]-3-Phenylpropanoate
[CAS# 153586-91-5]

Identification

• Name: Methyl (2S)-2-[[(2S)-2-[[(2S)-2-Formamido-4-Methoxybutanoyl]Amino]-4-Methylpentanoyl]Amino]-3-Phenylpropanoate
• Synonyms: Methyl (2S)-2-[[(2S)-2-[[(2S)-2-Formamido-4-Methoxy-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoate; (2S)-2-[[(2S)-2-[[(2S)-2-Formamido-4-Methoxy-1-Oxobutyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Phenylpropanoic Acid Methyl Ester; (2S)-2-[[(2S)-2-[[(2S)-2-Formamido-4-Methoxy-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propionic Acid Methyl Ester
• Molecular Formula: C₂₂H₃₃N₃O₆
• Molecular Weight: 435.52
• CAS Registry Number: 153586-91-5
• SMILES: [C@H](C(=O)OC)(NC([C@@H](NC([C@@H](NC=O)CCOC)=O)CC(C)C)=O)CC1=CC=CC=C1
• InChI: 1S/C22H33N3O6/c1-15(2)12-18(24-20(27)17(23-14-26)10-11-30-3)21(28)25-19(22(29)31-4)13-16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)/t17-,18-,19-/m0/s1
• InChIKey: RBCDFJJTHFLFNO-FHWLQOOXSA-N

Properties

• Density: 1.138g/cm³ (Cal.)
• Boiling point: 713.339°C at 760 mmHg (Cal.)
• Flash point: 385.214°C (Cal.)