N-Acetyl-L-alpha-Aspartyl-L-alpha-Glutamyl-L-Valyl-N-[2-Oxo-4-(Trifluoromethyl)-2H-1-Benzopyran-7-Yl]-L-alpha-Asparagine
[CAS# 201608-14-2]

Identification

• Classification: Biochemical >> Peptide
• Name: N-Acetyl-L-alpha-Aspartyl-L-alpha-Glutamyl-L-Valyl-N-[2-Oxo-4-(Trifluoromethyl)-2H-1-Benzopyran-7-Yl]-L-alpha-Asparagine
• Synonyms: (4S)-4-[[(2S)-2-Acetamido-4-Hydroxy-4-Oxo-Butanoyl]Amino]-5-[[(1S)-1-[[(1S)-3-Hydroxy-3-Oxo-1-[[2-Oxo-4-(Trifluoromethyl)Chromen-7-Yl]Carbamoyl]Propyl]Carbamoyl]-2-Methyl-Propyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-Acetamido-4-Hydroxy-1,4-Dioxobutyl]Amino]-5-[[(1S)-1-[[[(1S)-3-Hydroxy-3-Oxo-1-[Oxo-[[2-Oxo-4-(Trifluoromethyl)-7-Chromenyl]Amino]Methyl]Propyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-Acetamido-4-Hydroxy-4-Keto-Butanoyl]Amino]-5-[[(1S)-1-[[(1S)-3-Hydroxy-3-Keto-1-[[2-Keto-4-(Trifluoromethyl)Chromen-7-Yl]Carbamoyl]Propyl]Carbamoyl]-2-Methyl-Propyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₃₀H₃₄F₃N₅O₁₃
• Molecular Weight: 729.62
• CAS Registry Number: 201608-14-2
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(O)=O)CCC(O)=O)(C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)NC2=CC1=C(C(=CC(O1)=O)C(F)(F)F)C=C2
• InChI: 1S/C30H34F3N5O13/c1-12(2)25(38-26(47)17(6-7-21(40)41)36-28(49)18(10-22(42)43)34-13(3)39)29(50)37-19(11-23(44)45)27(48)35-14-4-5-15-16(30(31,32)33)9-24(46)51-20(15)8-14/h4-5,8-9,12,17-19,25H,6-7,10-11H2,1-3H3,(H,34,39)(H,35,48)(H,36,49)(H,37,50)(H,38,47)(H,40,41)(H,42,43)(H,44,45)/t17-,18-,19-,25-/m0/s1
• InChIKey: GZDRODOYEFEHGG-NUDCOPPTSA-N

Properties

• Density: 1.496g/cm³ (Cal.)
• Boiling point: 1152.661°C at 760 mmHg (Cal.)
• Flash point: 650.906°C (Cal.)