4-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]thiane-4-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]thiane-4-carboxylic acid Openeye Name: 4-[[2-(benzyloxycarbonylamino)-2-methyl-propanoyl]amino]tetrahydrothiopyran-4-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-4-thianecarboxylic acid IUPAC Name: 4-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]thiane-4-carboxylic acid Traditional Name: 4-[[2-(benzyloxycarbonylamino)-2-methyl-propanoyl]amino]tetrahydrothiopyran-4-carboxylic acid Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1(CCSCC1)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(=O)NC1(CCSCC1)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O5S/c1-17(2,20-16(24)25-12-13-6-4-3-5-7-13)14(21)19-18(15(22)23)8-10-26-11-9-18/h3-7H,8-12H2,1-2H3,(H,19,21)(H,20,24)(H,22,23)