2-azanyl-3-[4-(2,2-dimethylpropanoyl)-3,4-bis(oxidanyl)cyclohexa-2,5-dien-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(2,2-dimethylpropanoyl)-3,4-bis(oxidanyl)cyclohexa-2,5-dien-1-yl]propanoic acid Openeye Name: 2-amino-3-[4-(2,2-dimethylpropanoyl)-3,4-dihydroxy-cyclohexa-2,5-dien-1-yl]propanoic acid CAS Name: 2-amino-3-[4-(2,2-dimethyl-1-oxopropyl)-3,4-dihydroxy-1-cyclohexa-2,5-dienyl]propanoic acid IUPAC Name: 2-amino-3-[4-(2,2-dimethylpropanoyl)-3,4-dihydroxycyclohexa-2,5-dien-1-yl]propanoic acid Traditional Name: 2-amino-3-(3,4-dihydroxy-4-pivaloyl-cyclohexa-2,5-dien-1-yl)propionic acid Formula: C14H21NO5 MolecularWeight: 283.32024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1(C=CC(C=C1O)CC(C(=O)O)N)O

Isomeric SMILES

CC(C)(C)C(=O)C1(C=CC(C=C1O)CC(C(=O)O)N)O

InChI

InChI=1S/C14H21NO5/c1-13(2,3)12(19)14(20)5-4-8(7-10(14)16)6-9(15)11(17)18/h4-5,7-9,16,20H,6,15H2,1-3H3,(H,17,18)