2-azanyl-3-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[(2-keto-2-mesidino-ethyl)thio]propionic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSCC(C(=O)O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSCC(C(=O)O)N)C

InChI

InChI=1S/C14H20N2O3S/c1-8-4-9(2)13(10(3)5-8)16-12(17)7-20-6-11(15)14(18)19/h4-5,11H,6-7,15H2,1-3H3,(H,16,17)(H,18,19)