N-(4-Methylbenzylthiocarbonyl)Phenylalanine
[CAS# 64905-22-2]

Identification

• Name: N-(4-Methylbenzylthiocarbonyl)Phenylalanine
• Synonyms: (2S)-2-[(4-Methylphenyl)Methylsulfanylcarbonylamino]-3-Phenyl-Propanoic Acid; (2S)-2-[[[(4-Methylphenyl)Methylthio]-Oxomethyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(4-Methylbenzyl)Thio]Carbonylamino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₁₈H₁₉NO₃S
• Molecular Weight: 329.41
• CAS Registry Number: 64905-22-2
• SMILES: [C@H](NC(SCC1=CC=C(C=C1)C)=O)(CC2=CC=CC=C2)C(=O)O
• InChI: 1S/C18H19NO3S/c1-13-7-9-15(10-8-13)12-23-18(22)19-16(17(20)21)11-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1
• InChIKey: VZGFBWQZOIKMRJ-INIZCTEOSA-N

Properties

• Density: 1.249g/cm³ (Cal.)