(2S)-2-[(2,5-dimethylfuran-3-yl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[(2,5-dimethylfuran-3-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(2,5-dimethyl-3-furoyl)amino]-4-methyl-valerate Formula: C13H18NO4- MolecularWeight: 252.28632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NC(CC(C)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-7(2)5-11(13(16)17)14-12(15)10-6-8(3)18-9(10)4/h6-7,11H,5H2,1-4H3,(H,14,15)(H,16,17)/p-1/t11-/m0/s1