(2S)-5-Tert-Butyl-3-[(2S)-2-[[(2S)-1-Hydroxy-1-Oxo-4-Phenylbutan-2-Yl]Amino]Propanoyl]-2H-1,3,4-Thiadiazole-2-Carboxylic Acid
[CAS# 109683-79-6]

Identification

• Name: (2S)-5-Tert-Butyl-3-[(2S)-2-[[(2S)-1-Hydroxy-1-Oxo-4-Phenylbutan-2-Yl]Amino]Propanoyl]-2H-1,3,4-Thiadiazole-2-Carboxylic Acid
• Synonyms: (2S)-5-Tert-Butyl-3-[(2S)-2-[[(1S)-1-Carboxy-3-Phenyl-Propyl]Amino]Propanoyl]-2H-1,3,4-Thiadiazole-2-Carboxylic Acid; (2S)-5-Tert-Butyl-3-[(2S)-2-[[(1S)-1-Carboxy-3-Phenylpropyl]Amino]-1-Oxopropyl]-2H-1,3,4-Thiadiazole-2-Carboxylic Acid; (2S)-5-Tert-Butyl-3-[(2S)-2-[[(2S)-1-Hydroxy-1-Oxo-4-Phenyl-Butan-2-Yl]Amino]Propanoyl]-2H-1,3,4-Thiadiazole-2-Carboxylic Acid
• Molecular Formula: C₂₀H₂₇N₃O₅S
• Molecular Weight: 421.51
• CAS Registry Number: 109683-79-6
• SMILES: [C@@H]1(N(N=C(C(C)(C)C)S1)C([C@@H](N[C@@H](CCC2=CC=CC=C2)C(O)=O)C)=O)C(O)=O
• InChI: 1S/C20H27N3O5S/c1-12(21-14(17(25)26)11-10-13-8-6-5-7-9-13)15(24)23-16(18(27)28)29-19(22-23)20(2,3)4/h5-9,12,14,16,21H,10-11H2,1-4H3,(H,25,26)(H,27,28)/t12-,14-,16-/m0/s1
• InChIKey: APWZQGVRPRWXQK-NOLJZWGESA-N