2-methyl-3-[(2-phenyl-4-sulfino-butanoyl)amino]propanoic acid

Systemtic Name: 2-methyl-3-[(2-phenyl-4-sulfino-butanoyl)amino]propanoic acid Openeye Name: 2-methyl-3-[(2-phenyl-4-sulfino-butanoyl)amino]propanoic acid CAS Name: 2-methyl-3-[(1-oxo-2-phenyl-4-sulfinobutyl)amino]propanoic acid IUPAC Name: 2-methyl-3-[(2-phenyl-4-sulfinobutanoyl)amino]propanoic acid Traditional Name: 2-methyl-3-[(2-phenyl-4-sulfino-butanoyl)amino]propionic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-10(14(17)18)9-15-13(16)12(7-8-21(19)20)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)(H,17,18)(H,19,20)