(2S)-2-[(2,5-dimethylfuran-3-yl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(2,5-dimethylfuran-3-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(2,5-dimethyl-3-furoyl)amino]-3-methyl-butyric acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C12H17NO4/c1-6(2)10(12(15)16)13-11(14)9-5-7(3)17-8(9)4/h5-6,10H,1-4H3,(H,13,14)(H,15,16)/t10-/m0/s1