3-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-oxo-2-(3-phenylpropylamino)ethyl]thio]propanoic acid IUPAC Name: 3-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(3-phenylpropylamino)ethyl]thio]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)CSCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)CSCCC(=O)O

InChI

InChI=1S/C14H19NO3S/c16-13(11-19-10-8-14(17)18)15-9-4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,15,16)(H,17,18)