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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C1C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3.[Na+]

Isomeric SMILES

CN1C(C1C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3.[Na+]

InChI

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