(2S)-2-[3-(furan-2-yl)propanoylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (2S)-2-[3-(furan-2-yl)propanoylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[3-(2-furyl)propanoylamino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[3-(2-furanyl)-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[3-(furan-2-yl)propanoylamino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[3-(2-furyl)propanoylamino]-3-(1H-imidazol-5-yl)propionate Formula: C13H14N3O4- MolecularWeight: 276.26796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CCC(=O)NC(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

C1=COC(=C1)CCC(=O)N[C@@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C13H15N3O4/c17-12(4-3-10-2-1-5-20-10)16-11(13(18)19)6-9-7-14-8-15-9/h1-2,5,7-8,11H,3-4,6H2,(H,14,15)(H,16,17)(H,18,19)/p-1/t11-/m0/s1