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

Systemtic Name: sodium 3-[[1-oxidanylidene-1-(oxolan-2-ylmethylamino)-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[oxo-[[1-oxo-1-(2-oxolanylmethylamino)-3-phenylpropan-2-yl]amino]methyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-oxo-1-(oxolan-2-ylmethylamino)-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-keto-2-(tetrahydrofurfurylamino)ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C18H23N3NaO5+ MolecularWeight: 384.38209

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

Isomeric SMILES

C1CC(OC1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

InChI

InChI=1S/C18H23N3O5.Na/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;/h1-3,5-6,12-15,21H,4,7-10H2,(H,19,22)(H,20,23)(H,24,25);/q;+1