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

Systemtic Name: 2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Openeye Name: 2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylbutyl]amino]propanoic acid IUPAC Name: 2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Traditional Name: 2-[[2-(mercaptomethyl)-3-phenyl-butanoyl]amino]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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