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

Systemtic Name: sodium 3-[[1-oxidanylidene-3-phenyl-1-(3-phenylpropylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: sodium 3-[[1-benzyl-2-oxo-2-(3-phenylpropylamino)ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: sodium 3-[oxo-[[1-oxo-3-phenyl-1-(3-phenylpropylamino)propan-2-yl]amino]methyl]-2-aziridinecarboxylate IUPAC Name: sodium 3-[[1-oxo-3-phenyl-1-(3-phenylpropylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: sodium 3-[[1-benzyl-2-keto-2-(3-phenylpropylamino)ethyl]carbamoyl]ethylenimine-2-carboxylate Formula: C22H24N3NaO4 MolecularWeight: 417.43343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4.Na/c26-20(23-13-7-12-15-8-3-1-4-9-15)17(14-16-10-5-2-6-11-16)24-21(27)18-19(25-18)22(28)29;/h1-6,8-11,17-19,25H,7,12-14H2,(H,23,26)(H,24,27)(H,28,29);/q;+1/p-1