3-[(2,5-dimethylfuran-3-yl)carbonyl-(2-methylpropyl)amino]propanoic acid

Systemtic Name: 3-[(2,5-dimethylfuran-3-yl)carbonyl-(2-methylpropyl)amino]propanoic acid Openeye Name: 3-[(2,5-dimethylfuran-3-carbonyl)-isobutyl-amino]propanoic acid CAS Name: 3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]-(2-methylpropyl)amino]propanoic acid IUPAC Name: 3-[(2,5-dimethylfuran-3-carbonyl)-(2-methylpropyl)amino]propanoic acid Traditional Name: 3-[(2,5-dimethyl-3-furoyl)-isobutyl-amino]propionic acid Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)N(CCC(=O)O)CC(C)C

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N(CCC(=O)O)CC(C)C

InChI

InChI=1S/C14H21NO4/c1-9(2)8-15(6-5-13(16)17)14(18)12-7-10(3)19-11(12)4/h7,9H,5-6,8H2,1-4H3,(H,16,17)