sodium 3-[[1-oxidanylidene-3-phenyl-1-(1-phenylethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: sodium 3-[[1-oxidanylidene-3-phenyl-1-(1-phenylethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: sodium 3-[[1-benzyl-2-oxo-2-(1-phenylethylamino)ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: sodium 3-[oxo-[[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]amino]methyl]-2-aziridinecarboxylate IUPAC Name: sodium 3-[[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: sodium 3-[[1-benzyl-2-keto-2-(1-phenylethylamino)ethyl]carbamoyl]ethylenimine-2-carboxylate Formula: C21H22N3NaO4 MolecularWeight: 403.40685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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