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

Systemtic Name: sodium 3-[[1-(cyclohexylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: sodium 3-[[1-benzyl-2-(cyclohexylmethylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: sodium 3-[[[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylate IUPAC Name: sodium 3-[[1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: sodium 3-[[1-benzyl-2-(cyclohexylmethylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylate Formula: C20H26N3NaO4 MolecularWeight: 395.42791

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(CC1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3C(N3)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H27N3O4.Na/c24-18(21-12-14-9-5-2-6-10-14)15(11-13-7-3-1-4-8-13)22-19(25)16-17(23-16)20(26)27;/h1,3-4,7-8,14-17,23H,2,5-6,9-12H2,(H,21,24)(H,22,25)(H,26,27);/q;+1/p-1