2-azanyl-3-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[1-(2-furanylmethylamino)-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 2-amino-3-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(2-furfurylamino)-2-keto-1-methyl-ethyl]thio]propionic acid Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SCC(C(=O)O)N

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)SCC(C(=O)O)N

InChI

InChI=1S/C11H16N2O4S/c1-7(18-6-9(12)11(15)16)10(14)13-5-8-3-2-4-17-8/h2-4,7,9H,5-6,12H2,1H3,(H,13,14)(H,15,16)