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

Systemtic Name: 2-[[3-phenyl-2-(sulfanylmethyl)butyl]amino]propanoic acid Openeye Name: 2-[[3-phenyl-2-(sulfanylmethyl)butyl]amino]propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-3-phenylbutyl]amino]propanoic acid IUPAC Name: 2-[[3-phenyl-2-(sulfanylmethyl)butyl]amino]propanoic acid Traditional Name: 2-[[2-(mercaptomethyl)-3-phenyl-butyl]amino]propionic acid Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2S/c1-10(12-6-4-3-5-7-12)13(9-18)8-15-11(2)14(16)17/h3-7,10-11,13,15,18H,8-9H2,1-2H3,(H,16,17)