2-azanyl-5-methyl-3-oxidanylidene-4-(phenylcarbonyl)-4-sulfanyl-hexanoic acid

Systemtic Name: 2-azanyl-5-methyl-3-oxidanylidene-4-(phenylcarbonyl)-4-sulfanyl-hexanoic acid Openeye Name: 2-amino-4-benzoyl-5-methyl-3-oxo-4-sulfanyl-hexanoic acid CAS Name: 2-amino-4-benzoyl-4-mercapto-5-methyl-3-oxohexanoic acid IUPAC Name: 2-amino-4-benzoyl-5-methyl-3-oxo-4-sulfanylhexanoic acid Traditional Name: 2-amino-4-benzoyl-3-keto-4-mercapto-5-methyl-hexanoic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=CC=CC=C1)(C(=O)C(C(=O)O)N)S

Isomeric SMILES

CC(C)C(C(=O)C1=CC=CC=C1)(C(=O)C(C(=O)O)N)S

InChI

InChI=1S/C14H17NO4S/c1-8(2)14(20,12(17)10(15)13(18)19)11(16)9-6-4-3-5-7-9/h3-8,10,20H,15H2,1-2H3,(H,18,19)