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

Systemtic Name: 3-[[1-(furan-2-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[1-benzyl-2-(2-furylmethylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[[[1-(2-furanylmethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[1-benzyl-2-(2-furfurylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CO2)NC(=O)C3C(N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CO2)NC(=O)C3C(N3)C(=O)O

InChI

InChI=1S/C18H19N3O5/c22-16(19-10-12-7-4-8-26-12)13(9-11-5-2-1-3-6-11)20-17(23)14-15(21-14)18(24)25/h1-8,13-15,21H,9-10H2,(H,19,22)(H,20,23)(H,24,25)