(3S)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (3S)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]-5-oxidanylidene-pentanoate Openeye Name: (3S)-3-methyl-5-[(5-methyl-2-furyl)methylamino]-5-oxo-pentanoate CAS Name: (3S)-3-methyl-5-[(5-methyl-2-furanyl)methylamino]-5-oxopentanoate IUPAC Name: (3S)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]-5-oxopentanoate Traditional Name: (3S)-5-keto-3-methyl-5-[(5-methyl-2-furyl)methylamino]valerate Formula: C12H16NO4- MolecularWeight: 238.25974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4/c1-8(6-12(15)16)5-11(14)13-7-10-4-3-9(2)17-10/h3-4,8H,5-7H2,1-2H3,(H,13,14)(H,15,16)/p-1/t8-/m0/s1