4-azanyl-4-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)butanoic acid Openeye Name: 4-amino-4-oxo-2-(3-phenylsulfanylpropanoylamino)butanoic acid CAS Name: 4-amino-4-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-(3-phenylsulfanylpropanoylamino)butanoic acid Traditional Name: 4-amino-4-keto-2-[3-(phenylthio)propanoylamino]butyric acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c14-11(16)8-10(13(18)19)15-12(17)6-7-20-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)