(2R,4S)-5-[(2-tert-butylphenyl)amino]-2,4-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (2R,4S)-5-[(2-tert-butylphenyl)amino]-2,4-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: (2R,4S)-5-(2-tert-butylanilino)-2,4-dimethyl-5-oxo-pentanoic acid CAS Name: (2R,4S)-5-(2-tert-butylanilino)-2,4-dimethyl-5-oxopentanoic acid IUPAC Name: (2R,4S)-5-(2-tert-butylanilino)-2,4-dimethyl-5-oxopentanoic acid Traditional Name: (2R,4S)-5-(2-tert-butylanilino)-5-keto-2,4-dimethyl-valeric acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(=O)O)C(=O)NC1=CC=CC=C1C(C)(C)C

Isomeric SMILES

C[C@@H](C[C@@H](C)C(=O)O)C(=O)NC1=CC=CC=C1C(C)(C)C

InChI

InChI=1S/C17H25NO3/c1-11(10-12(2)16(20)21)15(19)18-14-9-7-6-8-13(14)17(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,18,19)(H,20,21)/t11-,12+/m0/s1