2-azanyl-3-[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-oxo-2-(2-phenoxyethylamino)ethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-oxo-2-(2-phenoxyethylamino)ethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-keto-2-(2-phenoxyethylamino)ethyl]thio]propionic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c14-11(13(17)18)8-20-9-12(16)15-6-7-19-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)(H,17,18)