3-Fluoro-5-[[5-Hydroxy-1-[(1-Hydroxy-3-Methyl-1-Oxobutan-2-Yl)Amino]-1,5-Dioxopentan-2-Yl]Amino]-4-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-5-Oxopentanoic Acid
[CAS# 127708-86-5]

Identification

• Name: 3-Fluoro-5-[[5-Hydroxy-1-[(1-Hydroxy-3-Methyl-1-Oxobutan-2-Yl)Amino]-1,5-Dioxopentan-2-Yl]Amino]-4-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-5-Oxopentanoic Acid
• Synonyms: 4-(Tert-Butoxycarbonylamino)-5-[[1-[(1-Carboxy-2-Methyl-Propyl)Carbamoyl]-4-Hydroxy-4-Oxo-Butyl]Amino]-3-Fluoro-5-Oxo-Pentanoic Acid; 4-[(Tert-Butoxy-Oxomethyl)Amino]-5-[[1-[[(1-Carboxy-2-Methylpropyl)Amino]-Oxomethyl]-4-Hydroxy-4-Oxobutyl]Amino]-3-Fluoro-5-Oxopentanoic Acid; 4-(Tert-Butoxycarbonylamino)-5-[[1-[(1-Carboxy-2-Methyl-Propyl)Carbamoyl]-4-Hydroxy-4-Keto-Butyl]Amino]-3-Fluoro-5-Keto-Valeric Acid
• Molecular Formula: C₂₀H₃₂FN₃O₁₀
• Molecular Weight: 493.49
• CAS Registry Number: 127708-86-5
• SMILES: C(C(C(C(NC(C(=O)NC(C(=O)O)C(C)C)CCC(O)=O)=O)NC(OC(C)(C)C)=O)F)C(O)=O
• InChI: 1S/C20H32FN3O10/c1-9(2)14(18(31)32)23-16(29)11(6-7-12(25)26)22-17(30)15(10(21)8-13(27)28)24-19(33)34-20(3,4)5/h9-11,14-15H,6-8H2,1-5H3,(H,22,30)(H,23,29)(H,24,33)(H,25,26)(H,27,28)(H,31,32)
• InChIKey: WMXSCEWEQNQDLH-UHFFFAOYSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 858.172°C at 760 mmHg (Cal.)
• Flash point: 472.806°C (Cal.)