4-(Methylthio)-2-[(3-Nitrobenzoyl)Amino]Butanoic Acid
[CAS# 65084-34-6]

Identification

• Name: 4-(Methylthio)-2-[(3-Nitrobenzoyl)Amino]Butanoic Acid
• Synonyms: (2S)-4-(Methylthio)-2-[[(3-Nitrophenyl)-Oxomethyl]Amino]Butanoate; (2S)-4-(Methylthio)-2-[(3-Nitrobenzoyl)Amino]Butyrate; (2S)-4-Methylsulfanyl-2-[(3-Nitrophenyl)Carbonylamino]Butanoate
• Molecular Formula: C₁₂H₁₃N₂O₅S
• Molecular Weight: 297.31
• CAS Registry Number: 65084-34-6
• SMILES: [C@H](NC(=O)C1=CC(=CC=C1)[N+]([O-])=O)(CCSC)C([O-])=O
• InChI: 1S/C12H14N2O5S/c1-20-6-5-10(12(16)17)13-11(15)8-3-2-4-9(7-8)14(18)19/h2-4,7,10H,5-6H2,1H3,(H,13,15)(H,16,17)/p-1/t10-/m0/s1
• InChIKey: QXXOOFQUSPEKGT-JTQLQIEISA-M