sodium 3-[[1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: sodium 3-[[1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[[[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-[(4-chlorobenzyl)amino]-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C20H20ClN3NaO4+ MolecularWeight: 424.83327

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=C(C=C2)Cl)NC(=O)C3C(N3)C(=O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=C(C=C2)Cl)NC(=O)C3C(N3)C(=O)O.[Na+]

InChI

InChI=1S/C20H20ClN3O4.Na/c21-14-8-6-13(7-9-14)11-22-18(25)15(10-12-4-2-1-3-5-12)23-19(26)16-17(24-16)20(27)28;/h1-9,15-17,24H,10-11H2,(H,22,25)(H,23,26)(H,27,28);/q;+1