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

Systemtic Name: (2S,3S)-3-methyl-2-[(5-methylfuran-2-yl)carbonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[(5-methylfuran-2-carbonyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(5-methylfuran-2-carbonyl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[(5-methyl-2-furoyl)amino]valerate Formula: C12H16NO4- MolecularWeight: 238.25974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=CC=C(O1)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C1=CC=C(O1)C

InChI

InChI=1S/C12H17NO4/c1-4-7(2)10(12(15)16)13-11(14)9-6-5-8(3)17-9/h5-7,10H,4H2,1-3H3,(H,13,14)(H,15,16)/p-1/t7-,10-/m0/s1