4-azanyl-4-oxidanylidene-2-(4-phenylsulfanylbutanoylamino)butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-(4-phenylsulfanylbutanoylamino)butanoic acid Openeye Name: 4-amino-4-oxo-2-(4-phenylsulfanylbutanoylamino)butanoic acid CAS Name: 4-amino-4-oxo-2-[[1-oxo-4-(phenylthio)butyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-(4-phenylsulfanylbutanoylamino)butanoic acid Traditional Name: 4-amino-4-keto-2-[4-(phenylthio)butanoylamino]butyric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c15-12(17)9-11(14(19)20)16-13(18)7-4-8-21-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,15,17)(H,16,18)(H,19,20)