(2S)-5-methyl-2-[(2R)-4-oxidanylidene-4-[(1-phenylpyrazol-3-yl)amino]butan-2-yl]hexanoate

Systemtic Name: (2S)-5-methyl-2-[(2R)-4-oxidanylidene-4-[(1-phenylpyrazol-3-yl)amino]butan-2-yl]hexanoate Openeye Name: (2S)-5-methyl-2-[(1R)-1-methyl-3-oxo-3-[(1-phenylpyrazol-3-yl)amino]propyl]hexanoate CAS Name: (2S)-5-methyl-2-[(2R)-4-oxo-4-[(1-phenyl-3-pyrazolyl)amino]butan-2-yl]hexanoate IUPAC Name: (2S)-5-methyl-2-[(2R)-4-oxo-4-[(1-phenylpyrazol-3-yl)amino]butan-2-yl]hexanoate Traditional Name: (2S)-2-[(1R)-3-keto-1-methyl-3-[(1-phenylpyrazol-3-yl)amino]propyl]-5-methyl-hexanoate Formula: C20H26N3O3- MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(C)CC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@H](CC(=O)NC1=NN(C=C1)C2=CC=CC=C2)[C@H](CCC(C)C)C(=O)[O-]

InChI

InChI=1S/C20H27N3O3/c1-14(2)9-10-17(20(25)26)15(3)13-19(24)21-18-11-12-23(22-18)16-7-5-4-6-8-16/h4-8,11-12,14-15,17H,9-10,13H2,1-3H3,(H,25,26)(H,21,22,24)/p-1/t15-,17+/m1/s1