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

Systemtic Name: sodium 3-[[1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-[methyl-[2-(2-pyridyl)ethyl]amino]-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[[[1-[methyl-[2-(2-pyridinyl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-keto-2-[methyl-[2-(2-pyridyl)ethyl]amino]ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C21H24N4NaO4+ MolecularWeight: 419.42943

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

Isomeric SMILES

CN(CCC1=CC=CC=N1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

InChI

InChI=1S/C21H24N4O4.Na/c1-25(12-10-15-9-5-6-11-22-15)20(27)16(13-14-7-3-2-4-8-14)23-19(26)17-18(24-17)21(28)29;/h2-9,11,16-18,24H,10,12-13H2,1H3,(H,23,26)(H,28,29);/q;+1