3-[[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]amino]propanoic acid

Systemtic Name: 3-[[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]amino]propanoic acid Openeye Name: 3-[[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]amino]propanoic acid CAS Name: 3-[[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]amino]propanoic acid IUPAC Name: 3-[[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]amino]propanoic acid Traditional Name: 3-[[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:

C1=CC=C(C=C1)SCCNC(=O)CNCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)CNCCC(=O)O

InChI

InChI=1S/C13H18N2O3S/c16-12(10-14-7-6-13(17)18)15-8-9-19-11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,16)(H,17,18)