(2R,4R)-4-Tert-Butyl-2-(2-Fluorophenyl)-3-[2-[[3-[(2S)-1-Hydroxy-1-Oxopropan-2-Yl]Phenyl]Carbamoylamino]Acetyl]-1,3-Thiazolidine-4-Carboxylic Acid
[CAS# 153242-02-5]

Identification

• Name: (2R,4R)-4-Tert-Butyl-2-(2-Fluorophenyl)-3-[2-[[3-[(2S)-1-Hydroxy-1-Oxopropan-2-Yl]Phenyl]Carbamoylamino]Acetyl]-1,3-Thiazolidine-4-Carboxylic Acid
• Synonyms: (2R,4R)-4-Tert-Butyl-2-(2-Fluorophenyl)-3-[2-[[3-[(1S)-2-Hydroxy-1-Methyl-2-Oxo-Ethyl]Phenyl]Carbamoylamino]Acetyl]Thiazolidine-4-Carboxylic Acid; (2R,4R)-4-Tert-Butyl-2-(2-Fluorophenyl)-3-[2-[[[[3-[(1S)-2-Hydroxy-1-Methyl-2-Oxoethyl]Phenyl]Amino]-Oxomethyl]Amino]-1-Oxoethyl]-4-Thiazolidinecarboxylic Acid; (2R,4R)-4-Tert-Butyl-2-(2-Fluorophenyl)-3-[2-[[3-[(1S)-2-Hydroxy-2-Keto-1-Methyl-Ethyl]Phenyl]Carbamoylamino]Acetyl]Thiazolidine-4-Carboxylic Acid
• Molecular Formula: C₂₆H₃₀FN₃O₆S
• Molecular Weight: 531.60
• CAS Registry Number: 153242-02-5
• SMILES: [C@@H]1(SC[C@](N1C(CNC(NC2=CC(=CC=C2)[C@H](C)C(=O)O)=O)=O)(C(=O)O)C(C)(C)C)C3=CC=CC=C3F
• InChI: 1S/C26H30FN3O6S/c1-15(22(32)33)16-8-7-9-17(12-16)29-24(36)28-13-20(31)30-21(18-10-5-6-11-19(18)27)37-14-26(30,23(34)35)25(2,3)4/h5-12,15,21H,13-14H2,1-4H3,(H,32,33)(H,34,35)(H2,28,29,36)/t15-,21+,26-/m0/s1
• InChIKey: XPGRNAVLFGBZDM-YIHKWUSESA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 718.068°C at 760 mmHg (Cal.)
• Flash point: 388.074°C (Cal.)