5-tert-butyl-3-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 5-tert-butyl-3-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-tert-butyl-3-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 5-tert-butyl-3-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-tert-butyl-3-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 5-tert-butyl-3-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(SC(=N1)C(C)(C)C)C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(=O)N1C(SC(=N1)C(C)(C)C)C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

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)