5-[[(2S)-4-Methyl-1-Oxo-1-[[(2S)-2-[[2-Oxo-4-(Trifluoromethyl)-1H-Quinolin-7-Yl]Amino]-3-Phenylpropanoyl]Amino]Pentan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 111574-82-4]

Identification

• Name: 5-[[(2S)-4-Methyl-1-Oxo-1-[[(2S)-2-[[2-Oxo-4-(Trifluoromethyl)-1H-Quinolin-7-Yl]Amino]-3-Phenylpropanoyl]Amino]Pentan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: 5-[[(1S)-3-Methyl-1-[[(2S)-2-[[2-Oxo-4-(Trifluoromethyl)-1H-Quinolin-7-Yl]Amino]-3-Phenyl-Propanoyl]Carbamoyl]Butyl]Amino]-5-Oxo-Pentanoic Acid; 5-[[(1S)-3-Methyl-1-[Oxo-[[(2S)-1-Oxo-2-[[2-Oxo-4-(Trifluoromethyl)-1H-Quinolin-7-Yl]Amino]-3-Phenylpropyl]Amino]Methyl]Butyl]Amino]-5-Oxopentanoic Acid; 5-Keto-5-[[(1S)-1-[[(2S)-2-[[2-Keto-4-(Trifluoromethyl)-1H-Quinolin-7-Yl]Amino]-3-Phenyl-Propanoyl]Carbamoyl]-3-Methyl-Butyl]Amino]Valeric Acid
• Molecular Formula: C₃₀H₃₃F₃N₄O₆
• Molecular Weight: 602.61
• CAS Registry Number: 111574-82-4
• SMILES: [C@@H](NC2=CC1=C(C(=CC(=O)N1)C(F)(F)F)C=C2)(C(=O)NC(=O)[C@@H](NC(=O)CCCC(=O)O)CC(C)C)CC3=CC=CC=C3
• InChI: 1S/C30H33F3N4O6/c1-17(2)13-23(36-25(38)9-6-10-27(40)41)28(42)37-29(43)24(14-18-7-4-3-5-8-18)34-19-11-12-20-21(30(31,32)33)16-26(39)35-22(20)15-19/h3-5,7-8,11-12,15-17,23-24,34H,6,9-10,13-14H2,1-2H3,(H,35,39)(H,36,38)(H,40,41)(H,37,42,43)/t23-,24-/m0/s1
• InChIKey: NTUOZLKXKKCGJD-ZEQRLZLVSA-N

Properties

• Density: 1.331g/cm³ (Cal.)
• Boiling point: 855.021°C at 760 mmHg (Cal.)
• Flash point: 470.9°C (Cal.)