(2S)-2-[[(2S)-1-[(2S)-2-Methyl-3-Propanoylsulfanylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenylpropanoic Acid
[CAS# 74259-02-2]

Identification

• Name: (2S)-2-[[(2S)-1-[(2S)-2-Methyl-3-Propanoylsulfanylpropanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenylpropanoic Acid
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-2-Methyl-3-Propanoylsulfanyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[[(2S)-1-[(2S)-2-Methyl-1-Oxo-3-(1-Oxopropylthio)Propyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-1-[(2S)-2-Methyl-3-(Propionylthio)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₂₁H₂₈N₂O₅S
• Molecular Weight: 420.52
• CAS Registry Number: 74259-02-2
• SMILES: [C@H](C(=O)O)(NC([C@H]1N(CCC1)C([C@@H](CSC(CC)=O)C)=O)=O)CC2=CC=CC=C2
• InChI: 1S/C21H28N2O5S/c1-3-18(24)29-13-14(2)20(26)23-11-7-10-17(23)19(25)22-16(21(27)28)12-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3,(H,22,25)(H,27,28)/t14-,16+,17+/m1/s1
• InChIKey: UIYPRZQMTGXSEH-PVAVHDDUSA-N

Properties

• Density: 1.26g/cm³ (Cal.)
• Boiling point: 684.009°C at 760 mmHg (Cal.)
• Flash point: 367.475°C (Cal.)