4-[methyl-[2-(phenylmethylsulfanyl)ethanoyl]amino]butanoic acid

Systemtic Name: 4-[methyl-[2-(phenylmethylsulfanyl)ethanoyl]amino]butanoic acid Openeye Name: 4-[(2-benzylsulfanylacetyl)-methyl-amino]butanoic acid CAS Name: 4-[methyl-[1-oxo-2-(phenylmethylthio)ethyl]amino]butanoic acid IUPAC Name: 4-[(2-benzylsulfanylacetyl)-methylamino]butanoic acid Traditional Name: 4-[[2-(benzylthio)acetyl]-methyl-amino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSCC1=CC=CC=C1

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSCC1=CC=CC=C1

InChI

InChI=1S/C14H19NO3S/c1-15(9-5-8-14(17)18)13(16)11-19-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18)