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

Systemtic Name: 3-methyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]butanoic acid Openeye Name: 2-[(2-benzylsulfanylacetyl)amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]butanoic acid IUPAC Name: 2-[(2-benzylsulfanylacetyl)amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-3-methyl-butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-10(2)13(14(17)18)15-12(16)9-19-8-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,15,16)(H,17,18)