3-oxidanyl-2-[2-(phenylmethylsulfanyl)ethylamino]butanoic acid

Systemtic Name: 3-oxidanyl-2-[2-(phenylmethylsulfanyl)ethylamino]butanoic acid Openeye Name: 2-(2-benzylsulfanylethylamino)-3-hydroxy-butanoic acid CAS Name: 3-hydroxy-2-[2-(phenylmethylthio)ethylamino]butanoic acid IUPAC Name: 2-(2-benzylsulfanylethylamino)-3-hydroxybutanoic acid Traditional Name: 2-[2-(benzylthio)ethylamino]-3-hydroxy-butyric acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NCCSCC1=CC=CC=C1)O

Isomeric SMILES

CC(C(C(=O)O)NCCSCC1=CC=CC=C1)O

InChI

InChI=1S/C13H19NO3S/c1-10(15)12(13(16)17)14-7-8-18-9-11-5-3-2-4-6-11/h2-6,10,12,14-15H,7-9H2,1H3,(H,16,17)