(2S)-2-[[(2S)-1-[(2S)-2-Methyl-3-Sulfanylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenylpropanoic Acid
[CAS# 74259-08-8]

Identification

• Name: (2S)-2-[[(2S)-1-[(2S)-2-Methyl-3-Sulfanylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenylpropanoic Acid
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-2-Methyl-3-Sulfanyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[[(2S)-1-[(2S)-3-Mercapto-2-Methyl-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-1-[(2S)-3-Mercapto-2-Methyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₁₈H₂₄N₂O₄S
• Molecular Weight: 364.46
• CAS Registry Number: 74259-08-8
• SMILES: [C@@H]1(N(C([C@@H](CS)C)=O)CCC1)C(N[C@@H](CC2=CC=CC=C2)C(O)=O)=O
• InChI: 1S/C18H24N2O4S/c1-12(11-25)17(22)20-9-5-8-15(20)16(21)19-14(18(23)24)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14+,15+/m1/s1
• InChIKey: GICPPYOSOHKZPY-SNPRPXQTSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 651.894°C at 760 mmHg (Cal.)
• Flash point: 348.053°C (Cal.)