(2S)-5-methyl-2-[(2S)-4-[(2-methylphenyl)amino]-4-oxidanylidene-butan-2-yl]hexanoate

Systemtic Name: (2S)-5-methyl-2-[(2S)-4-[(2-methylphenyl)amino]-4-oxidanylidene-butan-2-yl]hexanoate Openeye Name: (2S)-5-methyl-2-[(1S)-1-methyl-3-(2-methylanilino)-3-oxo-propyl]hexanoate CAS Name: (2S)-5-methyl-2-[(2S)-4-(2-methylanilino)-4-oxobutan-2-yl]hexanoate IUPAC Name: (2S)-5-methyl-2-[(2S)-4-(2-methylanilino)-4-oxobutan-2-yl]hexanoate Traditional Name: (2S)-2-[(1S)-3-keto-1-methyl-3-(o-toluidino)propyl]-5-methyl-hexanoate Formula: C18H26NO3- MolecularWeight: 304.40394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-12(2)9-10-15(18(21)22)14(4)11-17(20)19-16-8-6-5-7-13(16)3/h5-8,12,14-15H,9-11H2,1-4H3,(H,19,20)(H,21,22)/p-1/t14-,15-/m0/s1