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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-3-9(2)12(13(16)17)14-11(15)7-6-10-5-4-8-18-10/h4-5,8-9,12H,3,6-7H2,1-2H3,(H,14,15)(H,16,17)/p-1/t9-,12-/m0/s1