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

Systemtic Name: sodium 3-[[1-[methyl(phenethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-[methyl(phenethyl)amino]-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[[[1-[methyl(phenethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-[methyl(phenethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-keto-2-[methyl(phenethyl)amino]ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C22H25N3NaO4+ MolecularWeight: 418.44137

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

InChI

InChI=1S/C22H25N3O4.Na/c1-25(13-12-15-8-4-2-5-9-15)21(27)17(14-16-10-6-3-7-11-16)23-20(26)18-19(24-18)22(28)29;/h2-11,17-19,24H,12-14H2,1H3,(H,23,26)(H,28,29);/q;+1