3-oxidanyl-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid

Systemtic Name: 3-oxidanyl-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Openeye Name: 3-hydroxy-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[2-(mercaptomethyl)-1-oxo-3-phenylbutyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-(mercaptomethyl)-3-phenyl-butanoyl]amino]propionic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CS)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(CS)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C14H19NO4S/c1-9(10-5-3-2-4-6-10)11(8-20)13(17)15-12(7-16)14(18)19/h2-6,9,11-12,16,20H,7-8H2,1H3,(H,15,17)(H,18,19)