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

Systemtic Name: 2-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 2-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 2-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 2-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 2-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(NN=C(S1)C2=CC=CC=C2)C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C(=O)C1(NN=C(S1)C2=CC=CC=C2)C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H23N3O5S/c1-14(23-17(20(27)28)13-12-15-8-4-2-5-9-15)18(26)22(21(29)30)25-24-19(31-22)16-10-6-3-7-11-16/h2-11,14,17,23,25H,12-13H2,1H3,(H,27,28)(H,29,30)