2-azanyl-3-(2,2-dimethyl-3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-(2,2-dimethyl-3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-propanoic acid Openeye Name: 2-amino-3-(3-anilino-2,2-dimethyl-3-oxo-propyl)sulfanyl-propanoic acid CAS Name: 2-amino-3-[(3-anilino-2,2-dimethyl-3-oxopropyl)thio]propanoic acid IUPAC Name: 2-amino-3-(3-anilino-2,2-dimethyl-3-oxopropyl)sulfanylpropanoic acid Traditional Name: 2-amino-3-[(3-anilino-3-keto-2,2-dimethyl-propyl)thio]propionic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSCC(C(=O)O)N)C(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C)(CSCC(C(=O)O)N)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C14H20N2O3S/c1-14(2,9-20-8-11(15)12(17)18)13(19)16-10-6-4-3-5-7-10/h3-7,11H,8-9,15H2,1-2H3,(H,16,19)(H,17,18)