3-[4-carboxy-1-(oxidanylamino)-1-oxidanylidene-3-sulfanyl-heptan-3-yl]-5-phenylmethoxy-benzoic acid

Systemtic Name: 3-[4-carboxy-1-(oxidanylamino)-1-oxidanylidene-3-sulfanyl-heptan-3-yl]-5-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-5-[2-carboxy-1-[2-(hydroxyamino)-2-oxo-ethyl]-1-sulfanyl-pentyl]benzoic acid CAS Name: 3-[4-carboxy-1-(hydroxyamino)-3-mercapto-1-oxoheptan-3-yl]-5-phenylmethoxybenzoic acid IUPAC Name: 3-[4-carboxy-1-(hydroxyamino)-1-oxo-3-sulfanylheptan-3-yl]-5-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-5-[2-carboxy-1-[2-(hydroxyamino)-2-keto-ethyl]-1-mercapto-pentyl]benzoic acid Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)C(CC(=O)NO)(C1=CC(=CC(=C1)C(=O)O)OCC2=CC=CC=C2)S

Isomeric SMILES

CCCC(C(=O)O)C(CC(=O)NO)(C1=CC(=CC(=C1)C(=O)O)OCC2=CC=CC=C2)S

InChI

InChI=1S/C22H25NO7S/c1-2-6-18(21(27)28)22(31,12-19(24)23-29)16-9-15(20(25)26)10-17(11-16)30-13-14-7-4-3-5-8-14/h3-5,7-11,18,29,31H,2,6,12-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)