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

Systemtic Name: sodium 3-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[1-benzyl-2-oxo-2-(phenethylamino)ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[oxo-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]amino]methyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[1-benzyl-2-keto-2-(phenethylamino)ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C21H23N3NaO4+ MolecularWeight: 404.41479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4.Na/c25-19(22-12-11-14-7-3-1-4-8-14)16(13-15-9-5-2-6-10-15)23-20(26)17-18(24-17)21(27)28;/h1-10,16-18,24H,11-13H2,(H,22,25)(H,23,26)(H,27,28);/q;+1