(2S)-3-Phenyl-2-[[(2S)-3-Phenyl-2-[(2-Sulfanylacetyl)Amino]Propanoyl]Amino]Propanoic Acid
[CAS# 110871-16-4]

Identification

• Name: (2S)-3-Phenyl-2-[[(2S)-3-Phenyl-2-[(2-Sulfanylacetyl)Amino]Propanoyl]Amino]Propanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[(2-Mercapto-1-Oxoethyl)Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-2-[(2-Mercaptoacetyl)Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propionic Acid; (2S)-3-Phenyl-2-[[(2S)-3-Phenyl-2-(2-Sulfanylethanoylamino)Propanoyl]Amino]Propanoic Acid
• Molecular Formula: C₂₀H₂₂N₂O₄S
• Molecular Weight: 386.46
• CAS Registry Number: 110871-16-4
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC(=O)CS)CC1=CC=CC=C1)=O)CC2=CC=CC=C2
• InChI: 1S/C20H22N2O4S/c23-18(13-27)21-16(11-14-7-3-1-4-8-14)19(24)22-17(20(25)26)12-15-9-5-2-6-10-15/h1-10,16-17,27H,11-13H2,(H,21,23)(H,22,24)(H,25,26)/t16-,17-/m0/s1
• InChIKey: DPRJEBOTAKMRQV-IRXDYDNUSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 723.927°C at 760 mmHg (Cal.)
• Flash point: 391.617°C (Cal.)