2-[[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]amino]propanoic acid

Systemtic Name: 2-[[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]amino]propanoic acid Openeye Name: 2-[[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]amino]propanoic acid CAS Name: 2-[[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]amino]propanoic acid IUPAC Name: 2-[[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]amino]propanoic acid Traditional Name: 2-[[2-keto-2-[2-(phenylthio)ethylamino]ethyl]amino]propionic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NCC(=O)NCCSC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)NCC(=O)NCCSC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O3S/c1-10(13(17)18)15-9-12(16)14-7-8-19-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H,14,16)(H,17,18)