(2S)-5-[(2-methylphenyl)amino]-2-(2-methylpropyl)-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-5-[(2-methylphenyl)amino]-2-(2-methylpropyl)-5-oxidanylidene-pentanoate Openeye Name: (2S)-2-isobutyl-5-(2-methylanilino)-5-oxo-pentanoate CAS Name: (2S)-5-(2-methylanilino)-2-(2-methylpropyl)-5-oxopentanoate IUPAC Name: (2S)-5-(2-methylanilino)-2-(2-methylpropyl)-5-oxopentanoate Traditional Name: (2S)-2-isobutyl-5-keto-5-(o-toluidino)valerate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCC(CC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC[C@@H](CC(C)C)C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-11(2)10-13(16(19)20)8-9-15(18)17-14-7-5-4-6-12(14)3/h4-7,11,13H,8-10H2,1-3H3,(H,17,18)(H,19,20)/p-1/t13-/m0/s1