3-[2-[(2S)-2-azanylpropanoyl]oxy-3,6-dimethyl-phenyl]-3-methyl-butanoic acid

Systemtic Name: 3-[2-[(2S)-2-azanylpropanoyl]oxy-3,6-dimethyl-phenyl]-3-methyl-butanoic acid Openeye Name: 3-[2-[(2S)-2-aminopropanoyl]oxy-3,6-dimethyl-phenyl]-3-methyl-butanoic acid CAS Name: 3-[2-[(2S)-2-amino-1-oxopropoxy]-3,6-dimethylphenyl]-3-methylbutanoic acid IUPAC Name: 3-[2-[(2S)-2-aminopropanoyl]oxy-3,6-dimethylphenyl]-3-methylbutanoic acid Traditional Name: 3-[2-[(2S)-2-aminopropanoyl]oxy-3,6-dimethyl-phenyl]-3-methyl-butyric acid Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C(C)N)C(C)(C)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-9-6-7-10(2)14(21-15(20)11(3)17)13(9)16(4,5)8-12(18)19/h6-7,11H,8,17H2,1-5H3,(H,18,19)/t11-/m0/s1