5-Oxo-5-[[(2S)-1-Oxo-1-[[2-Oxo-4-(Trifluoromethyl)-1H-Quinolin-7-Yl]Amino]-3-Phenylpropan-2-Yl]Amino]Pentanoic Acid
[CAS# 111574-81-3]

Identification

• Name: 5-Oxo-5-[[(2S)-1-Oxo-1-[[2-Oxo-4-(Trifluoromethyl)-1H-Quinolin-7-Yl]Amino]-3-Phenylpropan-2-Yl]Amino]Pentanoic Acid
• Synonyms: 5-Oxo-5-[[(1S)-2-Oxo-2-[[2-Oxo-4-(Trifluoromethyl)-1H-Quinolin-7-Yl]Amino]-1-(Phenylmethyl)Ethyl]Amino]Pentanoic Acid; 5-[[(1S)-1-(Benzyl)-2-Keto-2-[[2-Keto-4-(Trifluoromethyl)-1H-Quinolin-7-Yl]Amino]Ethyl]Amino]-5-Keto-Valeric Acid; 5-Oxo-5-[[(2S)-1-Oxo-1-[[2-Oxo-4-(Trifluoromethyl)-1H-Quinolin-7-Yl]Amino]-3-Phenyl-Propan-2-Yl]Amino]Pentanoic Acid
• Molecular Formula: C₂₄H₂₂F₃N₃O₅
• Molecular Weight: 489.45
• CAS Registry Number: 111574-81-3
• SMILES: [C@@H](NC(CCCC(=O)O)=O)(C(=O)NC2=CC1=C(C(=CC(N1)=O)C(F)(F)F)C=C2)CC3=CC=CC=C3
• InChI: 1S/C24H22F3N3O5/c25-24(26,27)17-13-21(32)29-18-12-15(9-10-16(17)18)28-23(35)19(11-14-5-2-1-3-6-14)30-20(31)7-4-8-22(33)34/h1-3,5-6,9-10,12-13,19H,4,7-8,11H2,(H,28,35)(H,29,32)(H,30,31)(H,33,34)/t19-/m0/s1
• InChIKey: LCIFDCMSPBIPOT-IBGZPJMESA-N

Properties

• Density: 1.411g/cm³ (Cal.)
• Boiling point: 784.552°C at 760 mmHg (Cal.)
• Flash point: 428.282°C (Cal.)