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

Systemtic Name: sodium 3-[[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-[benzyl(methyl)amino]-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[[[1-[methyl-(phenylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-[benzyl(methyl)amino]-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C21H23N3NaO4+ MolecularWeight: 404.41479

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)O.[Na+]

InChI

InChI=1S/C21H23N3O4.Na/c1-24(13-15-10-6-3-7-11-15)20(26)16(12-14-8-4-2-5-9-14)22-19(25)17-18(23-17)21(27)28;/h2-11,16-18,23H,12-13H2,1H3,(H,22,25)(H,27,28);/q;+1