4-[[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]amino]butanoic acid

Systemtic Name: 4-[[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]amino]butanoic acid Openeye Name: 4-[[2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[1-(2-furanylmethylamino)-1-oxopropan-2-yl]amino]butanoic acid IUPAC Name: 4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]butanoic acid Traditional Name: 4-[[2-(2-furfurylamino)-2-keto-1-methyl-ethyl]amino]butyric acid Formula: C12H18N2O4 MolecularWeight: 254.28232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)NCCCC(=O)O

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)NCCCC(=O)O

InChI

InChI=1S/C12H18N2O4/c1-9(13-6-2-5-11(15)16)12(17)14-8-10-4-3-7-18-10/h3-4,7,9,13H,2,5-6,8H2,1H3,(H,14,17)(H,15,16)