(2S)-3-methyl-2-[(2R)-2-(methylamino)-3-phenyl-propanoyl]oxy-butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(2R)-2-(methylamino)-3-phenyl-propanoyl]oxy-butanoic acid Openeye Name: (2S)-3-methyl-2-[(2R)-2-(methylamino)-3-phenyl-propanoyl]oxy-butanoic acid CAS Name: (2S)-3-methyl-2-[(2R)-2-(methylamino)-1-oxo-3-phenylpropoxy]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(2R)-2-(methylamino)-3-phenylpropanoyl]oxybutanoic acid Traditional Name: (2S)-3-methyl-2-[(2R)-2-(methylamino)-3-phenyl-propanoyl]oxy-butyric acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)OC(=O)C(CC1=CC=CC=C1)NC

Isomeric SMILES

CC(C)[C@@H](C(=O)O)OC(=O)[C@@H](CC1=CC=CC=C1)NC

InChI

InChI=1S/C15H21NO4/c1-10(2)13(14(17)18)20-15(19)12(16-3)9-11-7-5-4-6-8-11/h4-8,10,12-13,16H,9H2,1-3H3,(H,17,18)/t12-,13+/m1/s1