Methyl (2S)-3-Methyl-2-[[(2S)-2-[[(2S)-3-Methyl-2-[(2,2,2-Trifluoroacetyl)Amino]Butanoyl]Amino]-3-[4-(Oxiran-2-Ylmethoxy)Phenyl]Propanoyl]Amino]Butanoate
[CAS# 127132-43-8]

Identification

• Name: Methyl (2S)-3-Methyl-2-[[(2S)-2-[[(2S)-3-Methyl-2-[(2,2,2-Trifluoroacetyl)Amino]Butanoyl]Amino]-3-[4-(Oxiran-2-Ylmethoxy)Phenyl]Propanoyl]Amino]Butanoate
• Synonyms: (2S)-3-Methyl-2-[[(2S)-2-[[(2S)-3-Methyl-1-Oxo-2-[(2,2,2-Trifluoro-1-Oxoethyl)Amino]Butyl]Amino]-3-[4-(2-Oxiranylmethoxy)Phenyl]-1-Oxopropyl]Amino]Butanoic Acid Methyl Ester; (2S)-2-[[(2S)-3-(4-Glycidoxyphenyl)-2-[[(2S)-3-Methyl-2-[(2,2,2-Trifluoroacetyl)Amino]Butanoyl]Amino]Propanoyl]Amino]-3-Methyl-Butyric Acid Methyl Ester; Methyl (2S)-3-Methyl-2-[[(2S)-2-[[(2S)-3-Methyl-2-(2,2,2-Trifluoroethanoylamino)Butanoyl]Amino]-3-[4-(Oxiran-2-Ylmethoxy)Phenyl]Propanoyl]Amino]Butanoate
• Molecular Formula: C₂₅H₃₄F₃N₃O₇
• Molecular Weight: 545.55
• CAS Registry Number: 127132-43-8
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)(C(=O)N[C@H](C(OC)=O)C(C)C)CC2=CC=C(OCC1OC1)C=C2
• InChI: 1S/C25H34F3N3O7/c1-13(2)19(31-24(35)25(26,27)28)22(33)29-18(21(32)30-20(14(3)4)23(34)36-5)10-15-6-8-16(9-7-15)37-11-17-12-38-17/h6-9,13-14,17-20H,10-12H2,1-5H3,(H,29,33)(H,30,32)(H,31,35)/t17?,18-,19-,20-/m0/s1
• InChIKey: LPRYUZZAJXCHMZ-NIVVRJPPSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 721.448°C at 760 mmHg (Cal.)
• Flash point: 390.118°C (Cal.)