(2S)-2-[3-(furan-2-yl)propanoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[3-(furan-2-yl)propanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[3-(2-furyl)propanoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[3-(2-furanyl)-1-oxopropyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[3-(furan-2-yl)propanoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[3-(2-furyl)propanoylamino]-4-methyl-valerate Formula: C13H18NO4- MolecularWeight: 252.28632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)CCC1=CC=CO1

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)CCC1=CC=CO1

InChI

InChI=1S/C13H19NO4/c1-9(2)8-11(13(16)17)14-12(15)6-5-10-4-3-7-18-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t11-/m0/s1