(2S)-2-acetamido-3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: (2S)-2-acetamido-3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: (2S)-2-acetamido-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoic acid CAS Name: (2S)-2-acetamido-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoic acid IUPAC Name: (2S)-2-acetamido-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoic acid Traditional Name: (2S)-2-acetamido-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propionic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C)O)C

Isomeric SMILES

CC(=CCC1=C(C=CC(=C1)C[C@@H](C(=O)O)NC(=O)C)O)C

InChI

InChI=1S/C16H21NO4/c1-10(2)4-6-13-8-12(5-7-15(13)19)9-14(16(20)21)17-11(3)18/h4-5,7-8,14,19H,6,9H2,1-3H3,(H,17,18)(H,20,21)/t14-/m0/s1