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

Systemtic Name: sodium 3-[[1-oxidanylidene-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-oxo-2-[2-(2-pyridyl)ethylamino]ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[oxo-[[1-oxo-3-phenyl-1-[2-(2-pyridinyl)ethylamino]propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-keto-2-[2-(2-pyridyl)ethylamino]ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C20H22N4NaO4+ MolecularWeight: 405.40285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCC2=CC=CC=N2)NC(=O)C3C(N3)C(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCCC2=CC=CC=N2)NC(=O)C3C(N3)C(=O)O.[Na+]

InChI

InChI=1S/C20H22N4O4.Na/c25-18(22-11-9-14-8-4-5-10-21-14)15(12-13-6-2-1-3-7-13)23-19(26)16-17(24-16)20(27)28;/h1-8,10,15-17,24H,9,11-12H2,(H,22,25)(H,23,26)(H,27,28);/q;+1