3-[2-(phenylmethylsulfanyl)ethanoylamino]butanoic acid

Systemtic Name: 3-[2-(phenylmethylsulfanyl)ethanoylamino]butanoic acid Openeye Name: 3-[(2-benzylsulfanylacetyl)amino]butanoic acid CAS Name: 3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]butanoic acid IUPAC Name: 3-[(2-benzylsulfanylacetyl)amino]butanoic acid Traditional Name: 3-[[2-(benzylthio)acetyl]amino]butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CSCC1=CC=CC=C1

Isomeric SMILES

CC(CC(=O)O)NC(=O)CSCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO3S/c1-10(7-13(16)17)14-12(15)9-18-8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,15)(H,16,17)