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

Systemtic Name: sodium 3-[[1-oxidanylidene-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-oxo-2-(4-phenylbutylamino)ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[oxo-[[1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-keto-2-(4-phenylbutylamino)ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C23H27N3NaO4+ MolecularWeight: 432.46795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4.Na/c27-21(24-14-8-7-11-16-9-3-1-4-10-16)18(15-17-12-5-2-6-13-17)25-22(28)19-20(26-19)23(29)30;/h1-6,9-10,12-13,18-20,26H,7-8,11,14-15H2,(H,24,27)(H,25,28)(H,29,30);/q;+1