3-[2-(2-ethyl-3-oxidanylidene-1,4-thiazin-4-yl)ethanoylamino]-2-oxidanyl-4-phenyl-butanoic acid

Systemtic Name: 3-[2-(2-ethyl-3-oxidanylidene-1,4-thiazin-4-yl)ethanoylamino]-2-oxidanyl-4-phenyl-butanoic acid Openeye Name: 3-[[2-(2-ethyl-3-oxo-1,4-thiazin-4-yl)acetyl]amino]-2-hydroxy-4-phenyl-butanoic acid CAS Name: 3-[[2-(2-ethyl-3-oxo-1,4-thiazin-4-yl)-1-oxoethyl]amino]-2-hydroxy-4-phenylbutanoic acid IUPAC Name: 3-[[2-(2-ethyl-3-oxo-1,4-thiazin-4-yl)acetyl]amino]-2-hydroxy-4-phenylbutanoic acid Traditional Name: 3-[[2-(2-ethyl-3-keto-1,4-thiazin-4-yl)acetyl]amino]-2-hydroxy-4-phenyl-butyric acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C=CS1)CC(=O)NC(CC2=CC=CC=C2)C(C(=O)O)O

Isomeric SMILES

CCC1C(=O)N(C=CS1)CC(=O)NC(CC2=CC=CC=C2)C(C(=O)O)O

InChI

InChI=1S/C18H22N2O5S/c1-2-14-17(23)20(8-9-26-14)11-15(21)19-13(16(22)18(24)25)10-12-6-4-3-5-7-12/h3-9,13-14,16,22H,2,10-11H2,1H3,(H,19,21)(H,24,25)