(2S,3R)-3-methyl-4-oxidanylidene-4-phenyl-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: (2S,3R)-3-methyl-4-oxidanylidene-4-phenyl-2-[(phenylmethyl)amino]butanoic acid Openeye Name: (2S,3R)-2-(benzylamino)-3-methyl-4-oxo-4-phenyl-butanoic acid CAS Name: (2S,3R)-3-methyl-4-oxo-4-phenyl-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: (2S,3R)-2-(benzylamino)-3-methyl-4-oxo-4-phenylbutanoic acid Traditional Name: (2S,3R)-2-(benzylamino)-4-keto-3-methyl-4-phenyl-butyric acid Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NCC1=CC=CC=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NCC1=CC=CC=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO3/c1-13(17(20)15-10-6-3-7-11-15)16(18(21)22)19-12-14-8-4-2-5-9-14/h2-11,13,16,19H,12H2,1H3,(H,21,22)/t13-,16+/m1/s1