(2S)-3-(3-Carbamimidoylphenyl)-2-[[2-[(4-Methylphenyl)Sulfonylamino]Acetyl]Amino]Propanoic Acid
[CAS# 133397-82-7]

Identification

• Name: (2S)-3-(3-Carbamimidoylphenyl)-2-[[2-[(4-Methylphenyl)Sulfonylamino]Acetyl]Amino]Propanoic Acid
• Synonyms: (2S)-3-(3-Carbamimidoylphenyl)-2-[[2-[(4-Methylphenyl)Sulfonylamino]-1-Oxoethyl]Amino]Propanoic Acid; (2S)-3-(3-Amidinophenyl)-2-[[2-[(4-Methylphenyl)Sulfonylamino]Acetyl]Amino]Propionic Acid; (2S)-3-(3-Carbamimidoylphenyl)-2-[2-[(4-Methylphenyl)Sulfonylamino]Ethanoylamino]Propanoic Acid
• Molecular Formula: C₁₉H₂₂N₄O₅S
• Molecular Weight: 418.47
• CAS Registry Number: 133397-82-7
• SMILES: [C@H](C(=O)O)(NC(CN[S](=O)(=O)C1=CC=C(C=C1)C)=O)CC2=CC=CC(=C2)C(=N)N
• InChI: 1S/C19H22N4O5S/c1-12-5-7-15(8-6-12)29(27,28)22-11-17(24)23-16(19(25)26)10-13-3-2-4-14(9-13)18(20)21/h2-9,16,22H,10-11H2,1H3,(H3,20,21)(H,23,24)(H,25,26)/t16-/m0/s1
• InChIKey: RSQLYPYEBNVFAQ-INIZCTEOSA-N

Properties

• Density: 1.416g/cm³ (Cal.)