(2S)-1-[(2S)-2-Methyl-3-(Phenylmethylsulfanyl)Propanoyl]Pyrrolidine-2-Carboxylic Acid
[CAS# 81276-20-2]

Identification

• Name: (2S)-1-[(2S)-2-Methyl-3-(Phenylmethylsulfanyl)Propanoyl]Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[(2S)-2-Methyl-1-Oxo-3-(Phenylmethylthio)Propyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-3-(Benzylthio)-2-Methyl-Propanoyl]Proline; L-Proline, 1-(2-Methyl-1-Oxo-3-((Phenylmethyl)Thio)Propyl)-, (S)-
• Molecular Formula: C₁₆H₂₁NO₃S
• Molecular Weight: 307.41
• CAS Registry Number: 81276-20-2
• SMILES: [C@H]1(C(=O)O)N(CCC1)C([C@@H](CSCC2=CC=CC=C2)C)=O
• InChI: 1S/C16H21NO3S/c1-12(10-21-11-13-6-3-2-4-7-13)15(18)17-9-5-8-14(17)16(19)20/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,19,20)/t12-,14+/m1/s1
• InChIKey: GOQRCCPPVPASAM-OCCSQVGLSA-N

Properties

• Density: 1.24g/cm³ (Cal.)
• Boiling point: 522.61°C at 760 mmHg (Cal.)
• Flash point: 269.865°C (Cal.)