2-[(3-Methylbenzoyl)Amino]-4-(Methylthio)Butanoic Acid
[CAS# 65054-81-1]

Identification

• Name: 2-[(3-Methylbenzoyl)Amino]-4-(Methylthio)Butanoic Acid
• Synonyms: (2S)-2-[(3-Methylbenzoyl)Amino]-4-Methylsulfanyl-Butanoate; (2S)-2-[[(3-Methylphenyl)-Oxomethyl]Amino]-4-(Methylthio)Butanoate; (2S)-2-[(3-Methylbenzoyl)Amino]-4-(Methylthio)Butyrate
• Molecular Formula: C₁₃H₁₆NO₃S
• Molecular Weight: 266.33
• CAS Registry Number: 65054-81-1
• SMILES: [C@@H](NC(=O)C1=CC=CC(=C1)C)(C([O-])=O)CCSC
• InChI: 1S/C13H17NO3S/c1-9-4-3-5-10(8-9)12(15)14-11(13(16)17)6-7-18-2/h3-5,8,11H,6-7H2,1-2H3,(H,14,15)(H,16,17)/p-1/t11-/m0/s1
• InChIKey: YDRMLJOOOGRGNI-NSHDSACASA-M