(2S)-2-[2-(2,3-dimethylphenoxy)ethanoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[2-(2,3-dimethylphenoxy)ethanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-(2,3-dimethylphenoxy)-1-oxoethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-methyl-valerate Formula: C16H22NO4- MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NC(CC(C)C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C

InChI

InChI=1S/C16H23NO4/c1-10(2)8-13(16(19)20)17-15(18)9-21-14-7-5-6-11(3)12(14)4/h5-7,10,13H,8-9H2,1-4H3,(H,17,18)(H,19,20)/p-1/t13-/m0/s1