(2R)-3-methyl-2-[(4R)-1-oxidanidyl-3-oxidanylidene-4-(2-phenoxyethanoylamino)-1,2-thiazolidin-1-ium-2-yl]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[(4R)-1-oxidanidyl-3-oxidanylidene-4-(2-phenoxyethanoylamino)-1,2-thiazolidin-1-ium-2-yl]butanoic acid Openeye Name: (2R)-3-methyl-2-[(4R)-1-oxido-3-oxo-4-[(2-phenoxyacetyl)amino]isothiazolidin-1-ium-2-yl]butanoic acid CAS Name: (2R)-3-methyl-2-[(4R)-1-oxido-3-oxo-4-[(1-oxo-2-phenoxyethyl)amino]-2-isothiazolidin-1-iumyl]butanoic acid IUPAC Name: (2R)-3-methyl-2-[(4R)-1-oxido-3-oxo-4-[(2-phenoxyacetyl)amino]-1,2-thiazolidin-1-ium-2-yl]butanoic acid Traditional Name: (2R)-2-[(4R)-3-keto-1-oxido-4-[(2-phenoxyacetyl)amino]isothiazolidin-1-ium-2-yl]-3-methyl-butyric acid Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1C(=O)C(C[S+]1[O-])NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C(=O)O)N1C(=O)[C@H](C[S+]1[O-])NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C16H20N2O6S/c1-10(2)14(16(21)22)18-15(20)12(9-25(18)23)17-13(19)8-24-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12-,14+,25?/m0/s1