Tert-Butoxycarbonylalanyl-Psi-Thiomethylene-Phenylalanine
[CAS# 117345-97-8]

Identification

• Name: Tert-Butoxycarbonylalanyl-Psi-Thiomethylene-Phenylalanine
• Synonyms: 2-[2-(Tert-Butoxycarbonylamino)Propylsulfanyl]-3-Phenyl-Propanoic Acid; 2-[2-[(Tert-Butoxy-Oxomethyl)Amino]Propylthio]-3-Phenylpropanoic Acid; 2-[2-(Tert-Butoxycarbonylamino)Propylthio]-3-Phenyl-Propionic Acid
• Molecular Formula: C₁₇H₂₅NO₄S
• Molecular Weight: 339.45
• CAS Registry Number: 117345-97-8
• SMILES: C1=CC=CC=C1CC(C(=O)O)SCC(C)NC(=O)OC(C)(C)C
• InChI: 1S/C17H25NO4S/c1-12(18-16(21)22-17(2,3)4)11-23-14(15(19)20)10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,18,21)(H,19,20)
• InChIKey: OVCHOQCIFPQYAN-UHFFFAOYSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 495.702°C at 760 mmHg (Cal.)
• Flash point: 253.592°C (Cal.)