2-[3-(phenylcarbonylsulfanyl)propanoylamino]butanedioic acid

Systemtic Name: 2-[3-(phenylcarbonylsulfanyl)propanoylamino]butanedioic acid Openeye Name: 2-(3-benzoylsulfanylpropanoylamino)butanedioic acid CAS Name: 2-[[3-(benzoylthio)-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-(3-benzoylsulfanylpropanoylamino)butanedioic acid Traditional Name: 2-[3-(benzoylthio)propanoylamino]succinic acid Formula: C14H15NO6S MolecularWeight: 325.337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO6S/c16-11(15-10(13(19)20)8-12(17)18)6-7-22-14(21)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)(H,17,18)(H,19,20)