3-[4-(4-chlorophenyl)sulfanylbutanoylamino]propanoic acid

Systemtic Name: 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]propanoic acid Openeye Name: 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]propanoic acid CAS Name: 3-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-[4-(4-chlorophenyl)sulfanylbutanoylamino]propanoic acid Traditional Name: 3-[4-[(4-chlorophenyl)thio]butanoylamino]propionic acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCCC(=O)NCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCCC(=O)NCCC(=O)O)Cl

InChI

InChI=1S/C13H16ClNO3S/c14-10-3-5-11(6-4-10)19-9-1-2-12(16)15-8-7-13(17)18/h3-6H,1-2,7-9H2,(H,15,16)(H,17,18)