sodium 3-[[1-(furan-2-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-1-methyl-aziridine-2-carboxylic acid

Systemtic Name: sodium 3-[[1-(furan-2-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-1-methyl-aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-(2-furylmethylamino)-2-oxo-ethyl]carbamoyl]-1-methyl-aziridine-2-carboxylic acid CAS Name: sodium 3-[[[1-(2-furanylmethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-methyl-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1-methylaziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-(2-furfurylamino)-2-keto-ethyl]carbamoyl]-1-methyl-ethylenimine-2-carboxylic acid Formula: C19H21N3NaO5+ MolecularWeight: 394.37691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C1C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CO3.[Na+]

Isomeric SMILES

CN1C(C1C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CO3.[Na+]

InChI

InChI=1S/C19H21N3O5.Na/c1-22-15(16(22)19(25)26)18(24)21-14(10-12-6-3-2-4-7-12)17(23)20-11-13-8-5-9-27-13;/h2-9,14-16H,10-11H2,1H3,(H,20,23)(H,21,24)(H,25,26);/q;+1